SCHEMBL5163205

SCHEMBL5163205

O=[C]Cc1ccccc1I

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
IDO1 P14902 2/20 0.45
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
C1R P00736 1/20 0.34
KDM1A O60341 1/20 0.33
MAPK8 P45983 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTR2C P28335 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
MGLL Q99685 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL11480751 0.82 GABRA1 (0.36) TAAR1IDO1CYP1A2ALDH1A1HPGD
SCHEMBL7590925 0.77 TAAR1 (0.54) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL533864 0.76 ALDH1A1 (0.47) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL29385884 0.76 ALDH1A1 (0.47) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL2043471 0.74
SCHEMBL2139391 0.73 TAAR1 (0.50) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL96154 0.73 GABRA1 (0.45) TAAR1CYP2D6ALDH1A1MGLLGABRA1
SCHEMBL7584226 0.73 IDO1 (0.32) IDO1
SCHEMBL172963 0.72
SCHEMBL9317847 0.71 FFAR1 (0.31) ALDH1A1HPGDGABRA1GABRB2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3190131-B1 LIVING RADICAL POLYMERIZATION INITIATOR, METHOD FOR PRODUCING POLYMER, AND POLYMER UNIV KYOTO (JP) 2020-07-29 EP disclosed
US-10414848-B2 Living radical polymerization initiator, method for producing polymer, and polymer KYOTO UNIVERSITY (JP) 2019-09-17 US disclosed
US-20170306073-A1 LIVING RADICAL POLYMERIZATION INITIATOR, METHOD FOR PRODUCING POLYMER, AND POLYMER KYOTO UNIVERSITY (JP) 2017-10-26 US disclosed
EP-3190131-A1 LIVING RADICAL POLYMERIZATION INITIATOR, METHOD FOR PRODUCING POLYMER, AND POLYMER Kyoto University (JP) 2017-07-12 EP disclosed
CN-103237794-B P2X4Receptor antagonists 日本化学医药株式会社 2016-07-06 CN disclosed
EP-1233013-B1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO KK (JP) 2007-02-28 EP disclosed
US-7160874-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2007-01-09 US disclosed
US-20050070485-A1 Antagonistic activity to alpha 4 integrin; treating asthma, rheumatoid arthritis; N-[1-N,N-dimethylaminocarbonylcyclopropane-1-ylcarbonyl]-4-({[5-chloro-2-(methylthio)pyrimidine-4-yl]carbonyl}-amino)-L-phenylalanine AJINOMOTO CO., INC. (JP) 2005-03-31 US disclosed
US-6855706-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2005-02-15 US disclosed
EP-1233013-A1 NOVEL PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2002-08-21 EP disclosed
EP-0796618-B1 Treatment and prophylaxis of pancreatitis SANKYO CO (JP) 2002-01-30 EP disclosed
WO-2000041690-A9 USE OF THIAZOLIDINEDIONES TO AMELIORATE THE ADVERSE CONSEQUENCES OF MYOCARDIAL ISCHEMIA ON MYOCARDIAL FUNCTION AND METABOLISM UNIV CALIFORNIA (US) 2001-10-11 WO disclosed
WO-2000041690-A1 USE OF THIAZOLIDINEDIONES TO AMELIORATE THE ADVERSE CONSEQUENCES OF MYOCARDIAL ISCHEMIA ON MYOCARDIAL FUNCTION AND METABOLISM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-07-20 WO disclosed
US-5968960-A ANTIISCHEMIC AGENTS AND HYPOTENSIVE AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-10-19 US disclosed
US-5804590-A ADMINISTERING DERIVATIVES OF THIAZOLIDINE; ANTI-DIABETIC AGENTS. SANKYO COMPANY, LIMITED (JP) 1998-09-08 US disclosed
US-5753681-A INSULIN SENSITIZERS SANKYO COMPANY, LIMITED (JP) 1998-05-19 US disclosed
CN-1163105-A Therapy and prevention for esteoporosis SANKYO CO (JP) 1997-10-29 CN disclosed
EP-0796618-A1 Treatment and prophylaxis of pancreatitis SANKYO COMPANY LIMITED (JP) 1997-09-24 EP disclosed
EP-0783888-A1 Use of troglitazone and related thiazolidinediones in the manufacture of a medicament for the treatment and prophylaxis of osteoporosis SANKYO COMPANY LIMITED (JP) 1997-07-16 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-10414848-B2 Living radical polymerization initiator, method for producing polymer, and polymer CCNY, MTR, PARN TAAR1 1383/4885IDO1 2108/4885CYP1A2 1673/4885
US-20170306073-A1 LIVING RADICAL POLYMERIZATION INITIATOR, METHOD FOR PRODUCING POLYMER, AND POLYMER CCNY, MTR, PARN TAAR1 1383/4885IDO1 2108/4885CYP1A2 1673/4885
US-20050070485-A1 Antagonistic activity to alpha 4 integrin; treating asthma, rheumatoid arthritis; N-[1-N,N-dimethylaminocarbonylcyclopropane-1-ylcarbonyl]-4-({[5-chloro-2-(methylthio)pyrimidine-4-yl]carbonyl}-amino)-L-phenylalanine ITGB4, ITGA4, ITGAL TAAR1 2179/4885IDO1 2737/4885CYP1A2 3830/4885

“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.