Sugi Predict

Sugi Predict / Compounds / SCHEMBL5205630

SCHEMBL5205630

SCHEMBL5205630

Cc1cc(C)c(-c2ncc([N+](=O)[O-])c3c(Cl)cc(C)nc23)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.37
▸ L3MBTL1 Q9Y468 6/20 0.37
▸ LMNA P02545 5/20 0.37
▸ TDP1 Q9NUW8 5/20 0.37
▸ HTT P42858 3/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ GLA P06280 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ CRHR1 P34998 1/20 0.33
▸ PIN1 Q13526 2/20 0.33

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
SCHEMBL5209552 0.79 HSD11B1 (0.46) MAPTLMNAMAPK1SMN1; SMN2RAB9A
SCHEMBL5208904 0.77 L3MBTL1 (0.40) MAPTL3MBTL1LMNATDP1HTT
SCHEMBL6975785 0.71 MAPT (0.44) MAPTL3MBTL1TDP1HTTSMN1; SMN2
SCHEMBL12391630 0.67 TSHR (0.46) MAPTL3MBTL1LMNATDP1HTT
SCHEMBL5209663 0.67 MAPT (0.44) MAPTL3MBTL1LMNATDP1HTT
SCHEMBL5826969 0.66 MEN1 (0.50) MAPTL3MBTL1TDP1SMN1; SMN2ALDH1A1
SCHEMBL9164770 0.66 HSD11B1 (0.40) MAPTL3MBTL1LMNATDP1HTT
SCHEMBL9069976 0.65 ALDH1A1 (0.57) MAPTL3MBTL1LMNATDP1HTT
Formaldehyde SCHEMBL27550093 0.65 TSHR (0.43) MAPTL3MBTL1LMNATDP1HTT
SCHEMBL7032841 0.62 ALDH1A1 (0.37) MAPTL3MBTL1LMNATDP1HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341793-B1 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2007-01-17 — — EP disclosed
US-20040266799-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2004-12-30 — — US disclosed
US-6747034-B2 CORTICOTROPIN-RELEASING FACTOR (CRF); SUCH AS 4-CHLORO-2-METHYL-5-NITRO-8-(2,4-DICHLORO)PHENYL-1,7-NAPHTHYRIDINE FOR TREATING STROKE, ANXIETY, DEPRESSION, AND/OR IRRITABLE BOWEL SYNDROME NEUROCRINE BIOSCIENCES, INC. 2004-06-08 — — US disclosed
EP-1341793-A2 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO Neurocrine Biosciences, Inc. (US) 2003-09-10 — — EP disclosed
US-20020151557-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC 2002-10-17 — — US disclosed
WO-2002040480-A2 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2002-05-23 — — 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 (2 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-20040266799-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRH, CRHR2 MAPT 2720/4885L3MBTL1 3811/4885LMNA 3404/4885
US-20020151557-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRH, CRHR2 MAPT 2720/4885L3MBTL1 3811/4885LMNA 3404/4885

“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.