Sugi Predict

Sugi Predict / Compounds / SCHEMBL31301

SCHEMBL31301

SCHEMBL31301

NC(=O)c1cc2ccccc2nc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.67
▸ HTT P42858 2/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ ATM Q13315 2/20 0.51
▸ MAPT P10636 2/20 0.50
▸ CASP1 P29466 3/20 0.49
▸ KMT2A Q03164 2/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ GLA P06280 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ NCOA1 Q15788 1/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42

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
SCHEMBL29754608 1.00 IKBKB (0.67) IKBKBHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL529351 0.84 HTT (0.54) IKBKBHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL30025 0.84 HTT (0.54) IKBKBHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL31105819 0.84 HTT (0.54) IKBKBHTTALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL30026 0.82 HTT (0.52) IKBKBHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL3144090 0.82 KDM4E (0.55) IKBKBHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL30837 0.80 IKBKB (1.00) IKBKBALDH1A1KDM4EATMMAPT
SCHEMBL2099350 0.80 IKBKB (0.69) IKBKBHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL29538 0.80 IKBKB (0.69) IKBKBHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL31060123 0.80 IKBKB (1.00) IKBKBALDH1A1KDM4EATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 — — US claimed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 — — EP claimed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 — — US claimed
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 — — EP claimed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 — — US claimed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 — — WO claimed
CN-119585247-A Bicyclic heterocyclic amide inhibitors of nav1.8 for the treatment of pain 赛特温治疗公司 2025-03-07 — — CN disclosed
EP-4514789-A1 <SUP2/>? <SUB2/>?V?BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA1.8 FOR THE TREATMENT OF PAIN SiteOne Therapeutics, Inc. (US) 2025-03-05 — — EP disclosed
WO-2023211990-A1 BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2023-11-02 — — WO disclosed
WO-2023211990-A1 BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2023-11-02 — — WO disclosed
EP-2609084-A1 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 — — EP disclosed
US-8470852-B2 Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-06-25 — — US disclosed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 — — US disclosed
WO-2012025237-A9 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-02-14 — — WO disclosed
US-20120220627-A1 Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-08-30 — — US disclosed
WO-2012025237-A1 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 — — WO disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 — — US disclosed
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 — — EP disclosed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 — — US disclosed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 — — 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 (3 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-20120220627-A1 Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 IKBKB 957/4885HTT 1457/4885ALDH1A1 3096/4885
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor TRPV1, OPRL1, TRPV2 IKBKB 3536/4885HTT 3063/4885ALDH1A1 1216/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 IKBKB 3536/4885HTT 3063/4885ALDH1A1 1216/4885

“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.