SCHEMBL3649822

SCHEMBL3649822

NC(=O)n1ccc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.66
TSHR P16473 1/20 0.61
RAB9A P51151 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
PARP1 P09874 4/20 0.53
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.47
TFPI2 P48307 1/20 0.45
NPY4R P50391 1/20 0.45
GAA P10253 1/20 0.45
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
CDK4 P11802 3/20 0.42
CCND1 P24385 3/20 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
SCHEMBL29370778 1.00 NOTUM (0.66) NOTUMTSHRRAB9AL3MBTL1PARP1
Hydrochloric Acid SCHEMBL16237239 0.98 NOTUM (0.63) NOTUMTSHRRAB9AL3MBTL1PARP1
Hydrochloric Acid SCHEMBL28843911 0.96 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1PARP1
Isopropyl Alcohol SCHEMBL11540475 0.91 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1PARP1
SCHEMBL29195129 0.89 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1PARP1
SCHEMBL931955 0.85 TSHR (0.69) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL29453277 0.85 TSHR (0.69) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL2079635 0.84 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1PARP1
Bromide SCHEMBL19150274 0.83 TSHR (0.67) NOTUMTSHRRAB9AL3MBTL1LMNA
Hydrochloric Acid SCHEMBL20610213 0.83 TSHR (0.67) NOTUMTSHRRAB9AL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880671-B1 NOVEL COMPOUND AS PROTEIN KINASE INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THEREOF HK INNO N CORP (KR) 2025-03-12 EP claimed
US-12180185-B2 Compound as protein kinase inhibitor, and pharmaceutical composition comprising thereof HK INNO.N CORPORATION (KR) 2024-12-31 US claimed
CN-119185569-A Sustained release delivery system comprising a traceless linker 诺华股份有限公司 2024-12-27 CN claimed
WO-2019189241-A1 THERAPEUTIC AGENT FOR HEPATOCELLULAR CARCINOMA エーザイ・アール・アンド・ディー・マネジメント株式会社 2019-10-03 WO claimed
CN-109789209-A Use the method for CSF-1R inhibitors to treat ocular diseases 诺华股份有限公司 2019-05-21 CN claimed
WO-2019016115-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED ARYL KETONES BASF Agro B.V. (NL) 2019-01-24 WO claimed
US-10174006-B2 Topical aqueous ophthalmic compositions containing a 1H-indole-1-carboxamide derivative and use thereof for treatment of ophthalmic disease NOVARTIS AG (CH) 2019-01-08 US claimed
CN-109071516-A novel compounds 阿斯利康(瑞典)有限公司 2018-12-21 CN claimed
CN-105452241-B Carboxamides derivatives of ((base of pyrimidine 4) epoxide) 1H indoles 1 and application thereof 诺华股份有限公司 2018-01-05 CN claimed
CN-105073730-B monocyclic pyridine derivatives 卫材R&D管理有限公司 2017-10-13 CN claimed
WO-2012110190-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2012-08-23 WO claimed
CN-1209359-C Novel dihydric indole compound, their prepn. process and medicinal compsns. contg.them SEVOIERE LAB (FR) 2005-07-06 CN claimed
WO-2004069831-A1 TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LTD. (US) 2004-08-19 WO claimed
CN-1446813-A Novel dihydric indole compound, their prepn. process and medicinal compsns. contg.them SEVOIERE LAB (FR) 2003-10-08 CN claimed
CN-1333774-A Substituted benzofuranodindoles and indenoindoles as novel potassium channel openers AMERICAN HOME PROD (US) 2002-01-30 CN claimed
CN-1323796-A Novel cyclobutaneindazol carboxylamine compound, their prepn. method and pharmaceutical compositions ADIR (FR) 2001-11-28 CN claimed
WO-1997013767-A1 HETEROCYCLICALLY-SUBSTITUTED 1-INDOLE CARBOXAMIDES AS CYCLO-OXYGENASE-2 INHIBITORS CHEMISCH PHARMAZEUTISCHE FORSCHUNGSGESELLSCHAFT MBH (AT) 1997-04-17 WO claimed
CN-1086819-A Novel compounds having 5-hydroxytryptamine receptor antagonistic activity SMITHKLINE BEECHAM PLC (GB) 1994-05-18 CN claimed
US-5102901-A 5-hydroxytrypamine receptor antaonists DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1992-04-07 US claimed
EP-0393766-A2 New 3-N substituted carbamoyl-indole derivatives DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1990-10-24 EP claimed

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-10174006-B2 Topical aqueous ophthalmic compositions containing a 1H-indole-1-carboxamide derivative and use thereof for treatment of ophthalmic disease IDO1, IDO2, TPH1 NOTUM 1543/4885TSHR 2534/4885RAB9A 2178/4885
US-12180185-B2 Compound as protein kinase inhibitor, and pharmaceutical composition comprising thereof MAP3K20, MAP3K1, MAP3K15 NOTUM 1104/4885TSHR 3546/4885RAB9A 1065/4885

“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.