SCHEMBL4950985

SCHEMBL4950985

OOCc1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.64
IDO1 P14902 2/20 0.64
AGXT P21549 2/20 0.64
PNMT P11086 1/20 0.54
MAOB P27338 4/20 0.53
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
ENPP2 Q13822 1/20 0.51
HCAR2 Q8TDS4 1/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP12 P39900 1/20 0.51
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
HTR3A P46098 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
MAOA P21397 2/20 0.50

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
Pyridine SCHEMBL27603267 0.88 CYP3A4 (0.51) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL10866481 0.82 CYP3A4 (0.69) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL28404628 0.82 CYP3A4 (0.69) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL1855225 0.80 CYP3A4 (0.67) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL403680 0.78 IDO1 (1.00) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL7040986 0.78 CYP3A4 (0.64) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL13278842 0.78 CYP3A4 (0.64) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL7958908 0.78 CYP3A4 (0.64) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL1145772 0.78 CYP3A4 (0.64) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL791970 0.78 CYP3A4 (0.64) CYP3A4IDO1AGXTPNMTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111094287-A Substituted imidazoquinolines 生物技术公司 2020-05-01 CN disclosed
CN-105612158-A Antagonists of somatostatin receptor subtype 5 (sstr5) TAKEDA PHARMACEUTICALS CO 2016-05-25 CN disclosed
US-8889878-B2 Haloalky-substituted amides as insecticides and acaricides BAYER CROPSCIENCE AG (DE) 2014-11-18 US disclosed
CN-103079570-A Aryl and heteroaryl sulfones as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction UNIV VANDERBILT 2013-05-01 CN disclosed
CN-101296699-B Pyrazolo [1,5-a ] pyrimidine compounds MITSUBISHI TANABE PHARMA CORP 2013-01-02 CN disclosed
CN-102196913-B A lithographic printing plate AGFA GRAPHICS NV 2012-12-12 CN disclosed
CN-102333569-A Amine or amino alcohols as glyt1 inhibitors HOFFMANN LA ROCHE 2012-01-25 CN disclosed
CN-102196913-A A lithographic printing plate AGFA GRAPHICS NV 2011-09-21 CN disclosed
US-20110105532-A1 Haloalkyl-substituted amides as insecticides and acaricides BAYER CROPSCIENCE AG (DE) 2011-05-05 US disclosed
CN-101622001-A Purine compounds and compositions as kinase inhibitors for the treatment of plasmodium related diseases IRM LLC 2010-01-06 CN disclosed
CN-1391473-A VLA-4 inhibitor compounds DAIICHI SEIYAKU CO (JP) 2003-01-15 CN disclosed
CN-1391476-A Vasopressin agonist formulation and process AMERICAN CYANAMID CO (US) 2003-01-15 CN disclosed
CN-1358174-A New Compounds ASTRAZENECA AB (SE) 2002-07-10 CN disclosed
CN-1327793-A Pyrrolo-triazine and pyrimidine compounds DU PONT PHARM CO (US) 2001-12-26 CN disclosed
CN-1255864-A Combination of ileal bile acid transport inhibiting benzothiepines and HMG Co-A reductase inhibitors SEARLE & CO (US) 2000-06-07 CN disclosed
CN-1253474-A Sulfonyl divalent aryl or heteroaryl hydroxamic acid compounds MONSANTO CO (US) 2000-05-17 CN disclosed
CN-1252713-A N-hydroxy-2-(alkyl, aryl or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors AMERICAN CYANAMID CO (US) 2000-05-10 CN disclosed
CN-1039081-C New herbicides RHONE POULENC AGRICULTURE (GB) 1998-07-15 CN disclosed
CN-1037058-C Herbicide composition and use thereof RHONE POULENC AGRICULTURE (GB) 1998-01-21 CN disclosed
CN-1026063-C Pharmaceutical composition containing substituted thiopheno derivatives HOECHST AG (DE) 1994-10-05 CN 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-20110105532-A1 Haloalkyl-substituted amides as insecticides and acaricides CRYAA, ACLY, CRYZ CYP3A4 943/4885IDO1 2510/4885AGXT 50/4885

“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.