SCHEMBL2552575

SCHEMBL2552575

O=C(c1ccccc1)n1nc(-c2cccs2)nc1NCc1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.70
KDM4E B2RXH2 5/20 0.70
KMT2A Q03164 3/20 0.70
HPGD P15428 2/20 0.70
ALDH1A1 P00352 2/20 0.70
KLKB1 P03952 9/20 0.68
F2 P00734 6/20 0.68
KLK1 P06870 2/20 0.68
F10 P00742 2/20 0.68
RAB9A P51151 1/20 0.60
TP53 P04637 1/20 0.58
TSHR P16473 2/20 0.58
HSD17B10 Q99714 2/20 0.58
USP2 O75604 1/20 0.58
POLB P06746 1/20 0.57
LMNA P02545 2/20 0.54
MEN1 O00255 1/20 0.54

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
SCHEMBL14688794 0.96 KLKB1 (0.69) MAPTKDM4EKMT2AHPGDALDH1A1
SCHEMBL14688483 0.92 KLKB1 (0.73) MAPTKDM4EKMT2AHPGDALDH1A1
SCHEMBL2551187 0.90 KLKB1 (0.69) MAPTKDM4EKMT2AHPGDALDH1A1
SCHEMBL2553668 0.90 KLKB1 (0.64) MAPTKDM4EKMT2AHPGDALDH1A1
SCHEMBL14688555 0.89 KLKB1 (0.71) MAPTKDM4EKMT2AHPGDALDH1A1
SCHEMBL14689171 0.89 KLKB1 (0.64) MAPTKDM4EKMT2AHPGDALDH1A1
SCHEMBL2563132 0.89 KLKB1 (0.61) MAPTKDM4EKMT2AHPGDALDH1A1
SCHEMBL14688943 0.87 KLKB1 (0.71) MAPTKDM4EKMT2AHPGDALDH1A1
SCHEMBL14688604 0.87 KLKB1 (0.61) MAPTKDM4EKMT2AHPGDALDH1A1
SCHEMBL14689068 0.87 KLKB1 (0.72) MAPTKDM4EKMT2AHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2020-05-19 US disclosed
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2018-08-02 US disclosed
US-9963440-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2018-05-08 US disclosed
US-20170326125-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2017-11-16 US disclosed
US-9533967-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2017-01-03 US disclosed
US-20160256440-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2016-09-08 US disclosed
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2016-05-19 US disclosed
US-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2016-05-05 US disclosed
EP-2560966-A2 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN Verseon Corporation (US) 2013-02-27 EP disclosed
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON CORPORATION (US) 2013-02-14 US disclosed
WO-2011126903-A2 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON, INC. (US) 2011-10-13 WO 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 (7 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-20160256440-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 MAPT 1854/4885KDM4E 2301/4885KMT2A 2501/4885
US-20170326125-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 MAPT 1854/4885KDM4E 2301/4885KMT2A 2501/4885
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 MAPT 1854/4885KDM4E 2301/4885KMT2A 2501/4885
US-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 MAPT 1854/4885KDM4E 2301/4885KMT2A 2501/4885
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin TFPI, PLAT, SERPINC1 MAPT 1854/4885KDM4E 2301/4885KMT2A 2501/4885
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 MAPT 1854/4885KDM4E 2301/4885KMT2A 2501/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 MAPT 1854/4885KDM4E 2301/4885KMT2A 2501/4885

“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.