Sugi Predict

Sugi Predict / Compounds / SCHEMBL3281827

SCHEMBL3281827

SCHEMBL3281827

Cc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ MAPT P10636 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ TSHR P16473 2/20 0.58
▸ ACHE P22303 2/20 0.58
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ LTA4H P09960 1/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ HTT P42858 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ NFE2L2 Q16236 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ LPAR3 Q9UBY5 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.50
▸ CHRNB2 P17787 1/20 0.50
▸ CHRNA4 P43681 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9356592 0.91 ALDH1A1 (0.67) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL9158141 0.91 ALDH1A1 (0.67) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL7997068 0.88 MAPT (0.73) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL30098452 0.88 MAPT (0.73) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL9214229 0.88 ALDH1A1 (0.73) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL4203388 0.88 TSHR (0.67) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL10829168 0.87 NFE2L2 (0.61) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL8098054 0.87 MEN1 (0.71) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL9742526 0.87 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL8775401 0.86 ALDH1A1 (0.61) MEN1KMT2AMAPTALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624239-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-04-18 — — US disclosed
US-9624239-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-04-18 — — US disclosed
US-20140045833-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2014-02-13 — — US disclosed
US-20140045833-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2014-02-13 — — US disclosed
US-7700658-B2 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC. (US) 2010-04-20 — — US disclosed
US-20090156685-A1 (R)-CHIRAL HALOGENATED SUBSTITUTED FUSED HETEROCYCLIC AMINO COMPOUNDS USEFUL FOR INHIBITING CHOLESTEROL ESTER TRANSFER PROTEIN ACTIVITY PFIZER INC 2009-06-18 — — US disclosed
US-20070219274-A1 (R)-Chiral Halogenated Substituted Fused Heterocyclic Amino Compounds Useful for Inhibiting Cholesterol Ester Transfer Protein Activity PFIZER INC 2007-09-20 — — US disclosed
US-7253211-B2 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC. (US) 2007-08-07 — — US disclosed
US-7122536-B2 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC. (US) 2006-10-17 — — US disclosed
US-20060229304-A1 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC 2006-10-12 — — US disclosed
US-6677341-B2 USEFUL FOR TREATING ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASE;REACTING AN AMINE COMPOUND WITH AN EPOXIDE DERIVATIVE IN PRESENCE OF TRANSITION METAL SALT CATALYST PHARMACIA CORPORATION 2004-01-13 — — US disclosed
US-20030078264-A1 (R)-chiral halogenated substituted N,N-bis-benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2003-04-24 — — US disclosed
US-6544974-B2 Treating atherosclerosis and other coronary artery diseases. G.D. SEARLE & CO. 2003-04-08 — — US disclosed
US-20030050317-A1 (R)-chiral halogenated substituted n,n-bis-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2003-03-13 — — US disclosed
US-20030040545-A1 (R)-Chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2003-02-27 — — US disclosed
US-6521607-B1 Preventing coronary artery disease PHARMACIA CORPORATION 2003-02-18 — — US disclosed
US-20030027826-A1 (R)-Chiral halogenated substituted heteroaryl benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2003-02-06 — — US disclosed
US-20020177708-A1 (R)-chiral halogenated substituted N-benzyl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-28 — — US disclosed
EP-1115695-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(N+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 — — EP disclosed
WO-2000018724-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(n+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070219274-A1 (R)-Chiral Halogenated Substituted Fused Heterocyclic Amino Compounds Useful for Inhibiting Cholesterol Ester Transfer Protein Activity CETP, DBI, MTTP MEN1 4267/4885KMT2A 3496/4885MAPT 2936/4885
US-20060229304-A1 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity CETP, DBI, MTTP MEN1 4267/4885KMT2A 3496/4885MAPT 2936/4885
US-20030027826-A1 (R)-Chiral halogenated substituted heteroaryl benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP MEN1 4185/4885KMT2A 3956/4885MAPT 3032/4885
US-20020177708-A1 (R)-chiral halogenated substituted N-benzyl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP MEN1 4259/4885KMT2A 3587/4885MAPT 2815/4885
US-20030078264-A1 (R)-chiral halogenated substituted N,N-bis-benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP MEN1 3937/4885KMT2A 3576/4885MAPT 2637/4885
US-20140045833-A1 Protein Kinase Inhibitors LCK, BTK, TEC MEN1 4481/4885KMT2A 2088/4885MAPT 3381/4885
US-20030040545-A1 (R)-Chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, PLTP MEN1 4051/4885KMT2A 3049/4885MAPT 2965/4885
US-20090156685-A1 (R)-CHIRAL HALOGENATED SUBSTITUTED FUSED HETEROCYCLIC AMINO COMPOUNDS USEFUL FOR INHIBITING CHOLESTEROL ESTER TRANSFER PROTEIN ACTIVITY CETP, DBI, MTTP MEN1 4267/4885KMT2A 3496/4885MAPT 2936/4885
US-20030050317-A1 (R)-chiral halogenated substituted n,n-bis-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP MEN1 4235/4885KMT2A 3702/4885MAPT 2560/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.