SCHEMBL209040

SCHEMBL209040

Clc1ccc2sc[c]c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.38
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GFER P55789 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
PSMB8 P28062 1/20 0.33
CYP2C19 P33261 1/20 0.33
CMA1 P23946 1/20 0.33
TP53 P04637 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL207858 0.89 CYP2A6 (0.39) CYP2A6KDM4EALDH1A1GAAMEN1
SCHEMBL209709 0.74 MPI (0.30)
SCHEMBL207919 0.74 CYP2A6 (0.33) CYP2A6CYP1A2TP53CYP3A4TDP1
SCHEMBL206337 0.74 CYP2A6 (0.35) CYP2A6LMNA
SCHEMBL386520 0.69 BACE1 (0.41) CYP2A6KDM4EALDH1A1MEN1MAPT
SCHEMBL16289106 0.69 G6PD (0.33) CYP2A6ALDH1A1LOXL2
SCHEMBL16289155 0.67
SCHEMBL5534976 0.67
SCHEMBL452120 0.67
SCHEMBL5534583 0.66 GPR3 (0.40) KDM4EGAAMAPTCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115716849-A Synthetic method of aryl phosphorus compound 海南大学 2023-02-28 CN claimed
EP-2809668-B1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-04-12 EP claimed
US-9266876-B2 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-23 US claimed
US-20140371204-A1 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2014-12-18 US claimed
EP-2809668-A1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2014-12-10 EP claimed
WO-2013114332-A1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-08 WO claimed
US-8378122-B2 Process for the preparation of chymase modulators JANSSEN PHARMACEUTICA NV. (BE) 2013-02-19 US claimed
US-20120309986-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS ANZALONE LUIGI (US) 2012-12-06 US claimed
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS ANZALONE LUIGI (US) 2012-10-11 US claimed
US-8263785-B2 Process for the preparation of chymase modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-11 US claimed
WO-1999067221-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO claimed
WO-1999066934-A1 CYCLIC AMINO ACID COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO claimed
WO-1999067220-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO claimed
EP-0951466-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-10-27 EP claimed
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP claimed
WO-1999032453-A1 POLYCYCLIC α-AMINO-⊂-CAPROLACTAMS AND RELATED COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1999-07-01 WO claimed
WO-1998038177-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING β-AMYLOID PEPTIDE ELAN PHARMACEUTICALS, INC. (US) 1998-09-03 WO claimed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO claimed
WO-1998028268-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS AS β-AMYLOID PEPTIDE RELEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 1998-07-02 WO claimed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 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-20140371204-A1 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives CXCR3, CXCR1, CXCR2 CYP2A6 2684/4885KDM4E 2286/4885ALDH1A1 1249/4885
US-20120309986-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS CMA1, SERPINB1, CPA3 CYP2A6 1022/4885KDM4E 2815/4885ALDH1A1 3400/4885
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS CMA1, PPA1, CPN1 CYP2A6 1122/4885KDM4E 3115/4885ALDH1A1 4106/4885

“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.