SCHEMBL924028

SCHEMBL924028

O=c1ccccn1Cc1cccs1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HTT P42858 1/20 0.46
DRD4 P21917 5/20 0.45
DRD3 P35462 3/20 0.45
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DRD5 P21918 1/20 0.42
DRD2 P14416 1/20 0.42
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL27568476 0.76 ALDH1A1 (0.41) TSHRHTTDRD4DRD3ALDH1A1
SCHEMBL13120839 0.76 ALDH1A1 (0.41) TSHRNPSR1HTTALDH1A1MEN1
SCHEMBL21527211 0.73 POLB (0.44) TSHRPOLBNPSR1
SCHEMBL21201583 0.73 POLB (0.44) TSHRPOLBNPSR1
SCHEMBL9752787 0.72 POLB (0.63) POLBNPSR1ALDH1A1MAPT
SCHEMBL448303 0.72 HTT (0.50) TSHRHTTDRD4DRD3ALDH1A1
SCHEMBL9752644 0.72 POLB (0.58) TSHRPOLBNPSR1MAPT
SCHEMBL11334754 0.72 ALDH1A1 (0.47) TSHRHTTDRD4DRD3ALDH1A1
SCHEMBL16347227 0.71 HTT (0.42) TSHRHTTDRD4DRD3ALDH1A1
SCHEMBL23343606 0.71 POLB (0.42) TSHRPOLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190142813-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2019-05-16 US disclosed
US-10251872-B2 Multisubstituted aromatic compounds as serine protease inhibitors VERSEON CORPORATION (US) 2019-04-09 US disclosed
US-10058541-B2 Multisubstituted aromatic compounds as serine protease inhibitors VERSEON CORPORATION (US) 2018-08-28 US disclosed
US-20180064698-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2018-03-08 US disclosed
US-20170258775-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2017-09-14 US disclosed
US-9687479-B2 Multisubstituted aromatic compounds as serine protease inhibitors VERSEON CORPORATION (US) 2017-06-27 US disclosed
US-20170065570-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2017-03-09 US disclosed
US-9533970-B2 Multisubstituted aromatic compounds as serine protease inhibitors VERSEON CORPORATION (US) 2017-01-03 US disclosed
US-20160024047-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2016-01-28 US disclosed
CN-101475526-B Carboxylic acid derivatives inhibiting the binding of integrins to receptors thereof TEXAS BIOTECHNOLOGY CORP 2011-05-25 CN disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 US disclosed
CN-101475526-A Carboxylic acid derivatives inhibiting the binding of integrins to receptors thereof TEXAS BIOTECHNOLOGY CORP (US) 2009-07-08 CN disclosed
CN-100491353-C Carboxylic acid derivatives inhibiting the binding of integrins to their receptors TEXAS BIOTECHNOLOGIES CORP (US) 2009-05-27 CN disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 US disclosed
CN-1412181-A Carboxylic acid derivatives inhibiting the binding of integrins to their receptors TEXAS BIOTECHNOLOGIES CORP (US) 2003-04-23 CN disclosed
CN-1360498-A Carboxylic acid derivs. that inhibit binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORP (US) 2002-07-24 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 (9 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-20190142813-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 TSHR 3654/4885POLB 4594/4885NPSR1 2083/4885
US-20180064698-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 TSHR 3654/4885POLB 4594/4885NPSR1 2083/4885
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP TSHR 4409/4885POLB 2226/4885NPSR1 1471/4885
US-10251872-B2 Multisubstituted aromatic compounds as serine protease inhibitors SPINT2, PRSS1, SERPINB1 TSHR 3654/4885POLB 4594/4885NPSR1 2083/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP TSHR 4409/4885POLB 2226/4885NPSR1 1471/4885
US-10058541-B2 Multisubstituted aromatic compounds as serine protease inhibitors SPINT2, PRSS1, SERPINB1 TSHR 3654/4885POLB 4594/4885NPSR1 2083/4885
US-20160024047-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 TSHR 3654/4885POLB 4594/4885NPSR1 2083/4885
US-20170065570-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 TSHR 3654/4885POLB 4594/4885NPSR1 2083/4885
US-20170258775-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 TSHR 3654/4885POLB 4594/4885NPSR1 2083/4885

“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.