Sugi Predict

Sugi Predict / Compounds / SCHEMBL1749145

SCHEMBL1749145

SCHEMBL1749145

O=[N+]([O-])c1ccc(OC2CCCC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 2/20 0.49
▸ MAPT P10636 7/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ CYP19A1 P11511 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ PABPC1 P11940 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ PTGES O14684 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43

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
SCHEMBL28908019 0.98 HSPB1 (0.48) HSPB1MAPTNPSR1ALDH1A1LMNA
SCHEMBL3882524 0.97 HSPB1 (0.49) HSPB1MAPTNPSR1ALDH1A1LMNA
SCHEMBL30114540 0.94 HSPB1 (0.51) HSPB1MAPTNPSR1ALDH1A1LMNA
SCHEMBL737467 0.87 HSPB1 (0.46) HSPB1MAPTNPSR1ALDH1A1LMNA
SCHEMBL15884404 0.87 ALDH1A1 (0.49) HSPB1MAPTNPSR1ALDH1A1LMNA
SCHEMBL30748818 0.87 ALDH1A1 (0.49) HSPB1MAPTNPSR1ALDH1A1LMNA
SCHEMBL4713180 0.87 HSPB1 (0.46) HSPB1MAPTNPSR1ALDH1A1LMNA
SCHEMBL4713179 0.87 HSPB1 (0.46) HSPB1MAPTNPSR1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL17451217 0.85 HSPB1 (0.45) HSPB1MAPTNPSR1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5358942 0.85 HSPB1 (0.45) HSPB1MAPTNPSR1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071768-B2 Alkylquinoline and alkylquinazoline kinase modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2011-12-06 — — US disclosed
US-8071768-B2 Alkylquinoline and alkylquinazoline kinase modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2011-12-06 — — US disclosed
US-8071768-B2 Alkylquinoline and alkylquinazoline kinase modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2011-12-06 — — US disclosed
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 — — US disclosed
CN-1934090-B Substituted N-cyclohexyl imidazolinones having an MCH-modulatory effect VENTIS PHARMA GMBH 2010-04-07 — — CN disclosed
WO-2009024821-A2 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 — — WO disclosed
EP-1898917-B1 AMINOPYRIMIDINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-01-14 — — EP disclosed
EP-1898917-B1 AMINOPYRIMIDINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-01-14 — — EP disclosed
CN-101300249-A Aminoquinoline and aminoquinazoline kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2008-11-05 — — CN disclosed
CN-101291922-A Alkylquinoline and alkylquinazoline kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2008-10-22 — — CN disclosed
US-20060281764-A1 AMINOPYRIMIDINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 — — US disclosed
US-20060281700-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 — — US disclosed
US-20060281755-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS BAUMANN CHRISTIAN A 2006-12-14 — — US disclosed
US-20060281771-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 — — US disclosed
EP-1711473-A1 SUBSTITUTED N-CYCLOHEXYLIMIDAZOLINONES HAVING AN MCH-MODULATORY EFFECT Sanofi-Aventis Deutschland GmbH (DE) 2006-10-18 — — EP disclosed
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 — — EP disclosed
US-20050176795-A1 Substituted N-cycloexylimidazolinones, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH 2005-08-11 — — US disclosed
WO-2005070898-A1 SUBSTITUTED N-CYCLOHEXYL IMIDAZOLINONES HAVING AN MCH-MODULATORY EFFECT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-08-04 — — WO disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 — — US disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 — — 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 (6 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 HSPB1 2282/4885MAPT 4824/4885NPSR1 432/4885
US-20060281771-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, CDC42BPG, PRKCQ HSPB1 3883/4885MAPT 4596/4885NPSR1 3087/4885
US-20050176795-A1 Substituted N-cycloexylimidazolinones, process for their preparation and their use as medicaments CYP11B1, CYP11B2, GPR119 HSPB1 1456/4885MAPT 4772/4885NPSR1 615/4885
US-20060281764-A1 AMINOPYRIMIDINES AS KINASE MODULATORS FLT3, KIT, TYMP HSPB1 3911/4885MAPT 2743/4885NPSR1 1967/4885
US-20060281755-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS FLT3, CSF3R, CSF1R HSPB1 3067/4885MAPT 4550/4885NPSR1 2964/4885
US-20060281700-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS FLT3, TYMP, PHKG1 HSPB1 3495/4885MAPT 4496/4885NPSR1 3180/4885

“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.