SCHEMBL231083

SCHEMBL231083

Clc1c[c]ccc1Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
LTA4H P09960 1/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PNLIP P16233 1/20 0.35
NR1H2 P55055 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HRH1 P35367 1/20 0.34
CTNNB1 P35222 1/20 0.34
NSD2 O96028 1/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL1375267 0.85 MAPT (0.42) CYP1A2CYP2C9CYP2C19KMT2AALDH1A1
SCHEMBL231819 0.85 DPP4 (0.43) DPP4LTA4HTSHRCYP1A2CYP3A4
SCHEMBL984802 0.82 SLC6A4 (0.47) CYP1A2CYP2C9CYP2C19LMNAMRGPRX4
SCHEMBL1451604 0.82 LTA4H (0.46) LTA4HTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL5583577 0.81 HTR2A (0.42) LMNAKMT2AALDH1A1NPSR1POLB
SCHEMBL2329802 0.81 SLC6A4 (0.39) LMNAALDH1A1L3MBTL1HTR2ASLC6A4
SCHEMBL5583613 0.81 POLB (0.41) LTA4HCYP1A2CYP2C9CYP2C19LMNA
SCHEMBL1446587 0.80 ALDH1A1 (0.49) LTA4HLMNAKMT2AALDH1A1NPSR1
SCHEMBL2333939 0.80 EGFR (0.39) KMT2AALDH1A1MAPTMRGPRX4HTR2A
SCHEMBL21630261 0.78 FFAR1 (0.42) LMNAKMT2AMAPTTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179161-A1 Pyrazolopyrimidine compounds and their use in medicine VERNALIS (CAMBRIDGE) LIMITED. (GB) 2007-08-02 US claimed
US-7183278-B1 Picolinamide derivative and harmful organism control agent comprising said picolinamide derivative as active component MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-27 US claimed
EP-1608652-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN MEDICINE Vernalis (Cambridge) Limited (GB) 2005-12-28 EP claimed
CN-1213658-C Pyridinecarboxamide derivative and pest control agent containing same as active ingredient MEIJI SEIKA KAISHA (JP) 2005-08-10 CN claimed
WO-2004087707-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN MEDICINE VERNALIS (CAMBRIDGE) LIMITED (GB) 2004-10-14 WO claimed
EP-0888351-B1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION THOMAE GMBH DR K (DE) 2003-10-15 EP claimed
CN-1329596-A Pyridinecarboxamide derivative and pest control agent containing same as active ingredient MEIJI SEIKA KAISHA (JP) 2002-01-02 CN claimed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP claimed
US-5821240-A ENZYME INHIBITORS, SIGNAL INHIBITORS FOR ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS AND HORMONE INHIBITORS DR. KARL THOMAE GMBH (DE) 1998-10-13 US claimed
EP-0060640-B1 5,6,7-TRINOR-4,8-INTER-M-PHENYLENE PGI DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TORAY INDUSTRIES, INC. (JP) 1985-11-13 EP claimed
US-10316017-B2 COT modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2019-06-11 US disclosed
WO-2018103058-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2018-06-14 WO disclosed
WO-2018103060-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2018-06-14 WO disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
EP-0024943-B1 5,6,7-TRINOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TORAY INDUSTRIES, INC. (JP) 1983-08-17 EP disclosed
EP-0061426-A1 Process for colouring highly molecular organic material and polycyclic pigments CIBA-GEIGY AG (CH) 1982-09-29 EP disclosed
EP-0060640-A1 5,6,7-Trinor-4,8-inter-m-phenylene PGI derivatives and pharmaceutical compositions containing them TORAY INDUSTRIES, INC. (JP) 1982-09-22 EP disclosed
US-4301164-A FOR USE AS ANTIULCER AGENTS, HYPOTENSIVE AGENTS, ANTITHROMBOSIC AGENTS TORAY INDUSTRIES, INC. (JP) 1981-11-17 US disclosed
EP-0024943-A1 5,6,7-Trinor-4,8-inter-m-phenylene PGI2 derivatives and pharmaceutical compositions containing them TORAY INDUSTRIES, INC. (JP) 1981-03-11 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS DPP4 3764/4885LTA4H 3109/4885TSHR 11/4885
US-10316017-B2 COT modulators and methods of use thereof BRDT, THRB, HCCS DPP4 3764/4885LTA4H 3109/4885TSHR 11/4885
US-20070179161-A1 Pyrazolopyrimidine compounds and their use in medicine ROS1, ALK, NOX1 DPP4 2146/4885LTA4H 3072/4885TSHR 1076/4885

“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.