SCHEMBL228875

SCHEMBL228875

c1ccc(CC2NCCS2)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
GBA1 P04062 1/20 0.44
SLC22A1 O15245 1/20 0.41
PRCP P42785 1/20 0.41
FAAH O00519 1/20 0.39
HDAC8 Q9BY41 2/20 0.38

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
SCHEMBL6814764 0.86 POLB (0.51) POLBGBA1SLC22A1PRCPFAAH
SCHEMBL28084270 0.81 KDM1A (0.41)
Hydrochloric Acid SCHEMBL29147896 0.80 KDM1A (0.40)
SCHEMBL9516562 0.75 POLB (0.37) POLBFAAH
SCHEMBL28201013 0.73 HSD17B3 (0.42) POLBGBA1FAAH
SCHEMBL9709040 0.72 RAB9A (0.52) POLB
SCHEMBL323195 0.72 KCNA3 (0.44) HDAC8
SCHEMBL694287 0.70 MAOB (0.48) POLBGBA1
SCHEMBL9432511 0.70 POLB (0.54) POLBGBA1SLC22A1PRCP
SCHEMBL450052 0.69 GBA1 (0.42) POLBGBA1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003309-A Compounds that modulate NMDA receptor activity, pharmaceutical compositions and uses thereof 北京广为医药科技有限公司 2019-07-12 CN claimed
EP-2864289-B1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTED AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS CB THERAPEUTICS INC (KY) 2018-04-11 EP claimed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US claimed
US-9359338-B2 Cyclopropanecarboxamido-substitute aromatic compounds as anti-tumor agents CROWN BIOSCIENCE INC. (TAIWAN) (TW) 2016-06-07 US claimed
US-20150197511-A1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS APOLLOMICS INC. 2015-07-16 US claimed
EP-2864289-A1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS Crown Bioscience Inc. (Taiwan) (CN) 2015-04-29 EP claimed
WO-2014000418-A1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS CROWN BIOSCIENCE INC. (TAICANG) (CN) 2014-01-03 WO claimed
EP-2604619-A2 Mannose derivatives as antagonists of bacterial adhesion University of Basel (CH) 2013-06-19 EP claimed
WO-2012164074-A1 MANNOSE PHOSPHATE DERIVATIVES AS ANTAGONISTS OF BACTERIAL ADHESION UNIVERSITY OF BASEL (CH) 2012-12-06 WO claimed
US-20120270824-A1 MANNOSE DERIVATIVES AS ANTAGONISTS OF BACTERIAL ADHESION UNIVERSITY OF BASEL (CH) 2012-10-25 US claimed
WO-1998047893-A1 ENAMINE DERIVATIVES FOR USE AS ANTIOXYDANTS FOR POLYMERS GREAT LAKES CHEMICAL (EUROPE) GMBH (CH) 1998-10-29 WO claimed
EP-0772607-A1 WATER-SOLUBLE METHINE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CANCER COMPRISING THE SAME FUJI PHOTO FILM CO., LTD. (JP) 1997-05-14 EP claimed
US-5599825-A ANTITUMOR AGENTS FUJI PHOTO FILM CO., LTD. (JP) 1997-02-04 US claimed
EP-0735083-A1 Enamines as vulcanization accelerators for natural or synthetic rubbers GREAT LAKES CHEMICAL ITALIA S.r.l. (IT) 1996-10-02 EP claimed
WO-1996003393-A1 WATER-SOLUBLE METHINE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CANCER COMPRISING THE SAME FUJI PHOTO FILM CO., LTD. (JP) 1996-02-08 WO claimed
US-5414091-A Compounds for thermographic images using cyan dyes POLAROID CORPORATION (US) 1995-05-09 US claimed
EP-0634448-A1 Vulcanization accelerators GREAT LAKES CHEMICAL ITALIA S.r.l. (IT) 1995-01-18 EP claimed
EP-0626077-A1 IMAGE-RECORDING MATERIALS POLAROID CORPORATION (US) 1994-11-30 EP claimed
US-5340689-A For diffusion transfer color process POLAROID CORPORATION (US) 1994-08-23 US claimed
WO-1994015256-A1 IMAGE-RECORDING MATERIALS POLAROID CORPORATION (US) 1994-07-07 WO 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 (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-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof EGFR, ERBB2, ABL1 POLB 2203/4885GBA1 1994/4885SLC22A1 1909/4885
US-20150197511-A1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS BRAF, ARAF, RAF1 POLB 3137/4885GBA1 3435/4885SLC22A1 3935/4885
US-20120270824-A1 MANNOSE DERIVATIVES AS ANTAGONISTS OF BACTERIAL ADHESION MAN2A1, MANBA, M6PR POLB 4317/4885GBA1 1038/4885SLC22A1 1183/4885

“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.