SCHEMBL2554313

SCHEMBL2554313

CN(C)c1cccc(C(=O)n2nc(-c3cccs3)nc2NCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.63
TP53 P04637 3/20 0.52
KDM4E B2RXH2 4/20 0.52
F2 P00734 2/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 11/20 0.51
THRB P10828 2/20 0.51
LMNA P02545 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
KLK1 P06870 1/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48
ABL1 P00519 1/20 0.48

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
SCHEMBL2572812 0.94 KLKB1 (0.61) KLKB1TP53KDM4EF2HTT
SCHEMBL2565571 0.90 KLKB1 (0.64) KLKB1TP53KDM4EF2HTT
SCHEMBL14688338 0.90 KLKB1 (0.66) KLKB1TP53KDM4EF2HTT
SCHEMBL14688235 0.88 TP53 (0.67) KLKB1TP53KDM4EF2HTT
SCHEMBL14688483 0.87 KLKB1 (0.73) KLKB1KDM4EF2HTTMAPT
SCHEMBL2555507 0.86 MAPT (0.67) KLKB1TP53KDM4EF2HTT
SCHEMBL14688314 0.86 MAPT (0.66) KLKB1TP53KDM4EF2HTT
SCHEMBL14689171 0.86 KLKB1 (0.64) KLKB1TP53KDM4EF2HTT
SCHEMBL14688658 0.85 KLKB1 (0.71) KLKB1TP53KDM4EF2HTT
SCHEMBL2556993 0.85 KLKB1 (0.76) KLKB1TP53KDM4EF2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963440-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2018-05-08 US disclosed
US-9533967-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2017-01-03 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 (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-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885TP53 2319/4885KDM4E 2301/4885
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885TP53 2319/4885KDM4E 2301/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885TP53 2319/4885KDM4E 2301/4885

“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.