SCHEMBL4457439

SCHEMBL4457439

Cc1cc[nH]c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.41
PLA2G10 O15496 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.40
CYP3A4 P08684 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
NOTUM Q6P988 1/20 0.40
NPC1 O15118 1/20 0.38
BRD4 O60885 1/20 0.37
MTOR P42345 1/20 0.37
ADK P55263 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2B6 P20813 1/20 0.37
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL22082710 0.76 MAPK14 (0.48) SMN1; SMN2GAAACHE
SCHEMBL9526229 0.73 ALDH1A1 (0.46) KDM4EHPGDSMN1; SMN2ALDH1A1PLA2G10
SCHEMBL3424232 0.72 MAPT (0.52) KDM4EHPGDALDH1A1PLA2G10GAA
SCHEMBL7084711 0.70 MAPT (0.45) KDM4EHPGDSMN1; SMN2ALDH1A1PLA2G10
SCHEMBL28231027 0.70 ALDH1A1 (0.42) KDM4EHPGDALDH1A1PLA2G10GAA
SCHEMBL27682990 0.70 CYP2A6 (0.42) KDM4EHPGDALDH1A1PLA2G10GAA
SCHEMBL57889 0.70 BCL2L1 (0.46) KDM4EHPGDALDH1A1PLA2G10GAA
SCHEMBL27961010 0.70 KDM4E (0.41) KDM4EHPGDALDH1A1PLA2G10GAA
SCHEMBL20021713 0.70 KDM4E (0.43) KDM4EHPGDSMN1; SMN2ALDH1A1PLA2G10
SCHEMBL9458570 0.70 MDM2 (0.41) KDM4EHPGDSMN1; SMN2ALDH1A1PLA2G10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117460516-A Methods and compositions for treating clostridium difficile infection 马特里瓦克斯公司 2024-01-26 CN disclosed
CN-116782949-A Use of short chain fatty acids in cancer prevention 英联邦高等教育系统天普大学 2023-09-19 CN disclosed
CN-116710430-A Methods and compounds for restoring mutant p53 function 皮姆维制药公司 2023-09-05 CN disclosed
CN-116249689-A Companion diagnostic tool for reactivating compounds mutating p53 皮姆维制药公司 2023-06-09 CN disclosed
CN-116096704-A Combination therapy for the treatment of cancer 皮姆维制药公司 2023-05-09 CN disclosed
WO-2020117075-A1 ARYLSULFONAMIDES OF 2-ARYLPYRROLE-3-CARBOXAMIDES FOR THE TREATMENT OF CNS DISORDERS JAGIELLONIAN UNIVERSITY (PL) 2020-06-11 WO disclosed
CN-105986253-B The plating application and its manufacturing method of excellent adhesion 阿基里斯株式会社 2019-09-27 CN disclosed
CN-105524046-B The method for preparing azole compounds 武田药品工业株式会社 2019-03-29 CN disclosed
CN-108129374-A The method for preparing azole compounds 武田药品工业株式会社 2018-06-08 CN disclosed
CN-106659689-A Inhalable powder formulations of alginate oligomers 阿尔吉法玛公司 2017-05-10 CN disclosed
US-20080221151-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES HUMPHREY JOHN MICHAEL 2008-09-11 US disclosed
US-20080221151-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES HUMPHREY JOHN MICHAEL 2008-09-11 US disclosed
US-7381741-B2 In which the amino is substituted by arylmethyl- or heteroarylmethyl- group, e.g., 2-Methoxybenzyl)-(2-phenylpyrrolidin-3-yl)-amine and 5-{[2-(3-Chloro-phenyl)-pyrrolidin-3-ylamino]-methyl}-6-methoxy-3-methyl-1,1a,3,7b-tetrahydro-3-aza-cyclopropa[a]naphalen-2-one; neurokinin 1 (Substance P) inhititors PFIZER INC (US) 2008-06-03 US disclosed
EP-1910454-A1 TRIETHANOLAMINE PERCHLORATO (TRIFLATO) METAL INNER COMPLEX COORDINATION POLYMERS AS ADDITIVES FOR SYNTHETIC POLYMERS CATENA Additives GmbH & Co. KG (DE) 2008-04-16 EP disclosed
WO-2006136191-A1 TRIETHANOLAMINE PERCHLORATO (TRIFLATO) METAL INNER COMPLEX COORDINATION POLYMERS AS ADDITIVES FOR SYNTHETIC POLYMERS CATENA ADDITIVES GMBH & CO. KG (DE) 2006-12-28 WO disclosed
CN-1067892-A The preparation method of new pyrrolo-[2,3-b] pyridine derivate ASTRA AB (SE) 1993-01-13 CN disclosed
EP-0388429-A4 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS 1991-08-21 EP disclosed
EP-0388429-A1 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-09-26 EP disclosed
WO-1989004299-A1 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1989-05-18 WO disclosed
EP-0125415-A1 Process for the production of pyrroles BASF Aktiengesellschaft (DE) 1984-11-21 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 (1 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-20080221151-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES PBK, KCND3, KCND2 KDM4E 1394/4885HPGD 935/4885SMN1; SMN2 2785/4885

“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.