SCHEMBL2176828

SCHEMBL2176828

COc1cccc(NC(=O)c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 1.00
RAB9A P51151 8/20 1.00
NLRP3 Q96P20 1/20 1.00
KCNK9 Q9NPC2 2/20 0.88
KCNK3 O14649 1/20 0.88
RXFP1 Q9HBX9 1/20 0.85
TRPV1 Q8NER1 1/20 0.83
SMN1; SMN2 Q16637 6/20 0.82
ALDH1A1 P00352 5/20 0.82
KMT2A Q03164 4/20 0.82
TP53 P04637 3/20 0.82
PKM P14618 2/20 0.82
MEN1 O00255 3/20 0.78
HTT P42858 3/20 0.77
POLB P06746 1/20 0.76
PGR P06401 1/20 0.72
TSHR P16473 1/20 0.71
LMNA P02545 1/20 0.71
MAPT P10636 1/20 0.71

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
SCHEMBL29800540 1.00 NPC1 (1.00) NPC1RAB9ANLRP3KCNK9KCNK3
SCHEMBL10055020 0.93 NPC1 (0.94) NPC1RAB9ANLRP3KCNK9KCNK3
SCHEMBL4251968 0.92 RXFP1 (0.94) NPC1RAB9ANLRP3KCNK9KCNK3
SCHEMBL30862297 0.92 RXFP1 (0.94) NPC1RAB9ANLRP3KCNK9KCNK3
SCHEMBL4253111 0.91 TRPV1 (1.00) NPC1RAB9ANLRP3KCNK9KCNK3
SCHEMBL4256368 0.90 NPC1 (1.00) NPC1RAB9ANLRP3KCNK9KCNK3
SCHEMBL5226157 0.90 NPC1 (1.00) NPC1RAB9ANLRP3KCNK9KCNK3
SCHEMBL4252397 0.88 NPC1 (0.83) NPC1RAB9ANLRP3KCNK9KCNK3
SCHEMBL31179863 0.88 NPC1 (0.83) NPC1RAB9ANLRP3KCNK9KCNK3
SCHEMBL4252236 0.87 RXFP1 (0.79) NPC1RAB9ANLRP3KCNK9KCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015193229-A1 BET-PROTEIN INHIBITING 1,4-DIHYDROPYRIDO[3,4-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-23 WO claimed
EP-1928879-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Brystol-Myers Squibb Company (US) 2008-06-11 EP claimed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 WO claimed
CN-1155278-A Arylthio compounds as antibacteral and antiviral agents WARNER LAMBERT CO (US) 1997-07-23 CN claimed
US-20250179031-A1 PROTEASOME ENHANCERS AND USES THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2025-06-05 US disclosed
CN-110483582-B Aza-carbene-palladium complex crystal, synthesis method thereof and application thereof in preparing amide compound 陕西师范大学 2023-02-10 CN disclosed
CN-114805112-A PDE2 inhibitor amide derivative and preparation method thereof 常州大学 2022-07-29 CN disclosed
CN-110483582-A Azepine Cabbeen palladium complex crystal and its synthetic method and preparing the application in amide compound UNIV SHAANXI NORMAL 2019-11-22 CN disclosed
CN-109457268-A A kind of method of electro-catalysis benzamide compound synthesis benzoxazoles 福建医科大学 2019-03-12 CN disclosed
CN-109369555-A A kind of method of microwave radiation benzamide compound synthesis benzoxazoles in water phase 福建医科大学 2019-02-22 CN disclosed
WO-2017197088-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY CONDITIONS PHARMAKEA, INC. (US) 2017-11-16 WO disclosed
US-8349836-B2 Phthalazine derivatives as inhibitors of protein kinase ARALDI GIAN-LUCA (US) 2013-01-08 US disclosed
US-20030203906-A1 A phenylamide derivatives for treating gastrointestinal reflux disorders, eating disorder obesity and irritable bowel disorder JOHNSON SIGMONG G (US) 2003-10-30 US disclosed
CN-1440390-A Substituted diamine derivatives as motilin antagonists ORTHO MCNEIL PHARM INC (US) 2003-09-03 CN disclosed
EP-1294695-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-26 EP disclosed
US-6511980-B2 For therapy of gastrointestinal reflux disorders, eating disorders leading to obesity and irritable bowel disorder ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-01-28 US disclosed
US-20020013352-A1 For therapy of gastrointestinal reflux disorders, eating disorders leading to obesity and irritable bowel disorder ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-31 US disclosed
WO-2001085694-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-15 WO disclosed
CN-1155278-A Arylthio compounds as antibacteral and antiviral agents WARNER LAMBERT CO (US) 1997-07-23 CN disclosed
EP-0602242-A1 BENZISOXAZOLE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-22 EP 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-20250179031-A1 PROTEASOME ENHANCERS AND USES THEREOF PSME3, PSMG3, PSME1 NPC1 2258/4885RAB9A 2779/4885NLRP3 1366/4885
US-20020013352-A1 For therapy of gastrointestinal reflux disorders, eating disorders leading to obesity and irritable bowel disorder MLNR, GIPR, NPY1R NPC1 3669/4885RAB9A 440/4885NLRP3 1989/4885
US-20030203906-A1 A phenylamide derivatives for treating gastrointestinal reflux disorders, eating disorder obesity and irritable bowel disorder MLNR, GIPR, NPY1R NPC1 3268/4885RAB9A 504/4885NLRP3 1026/4885

“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.