SCHEMBL4402392

SCHEMBL4402392

NC(=O)CCNCc1cn(Cc2ccc(F)cc2)c2ccc(NC(=O)[CH]Cc3ccccc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 6/20 0.45
▸ HASPIN Q8TF76 2/20 0.44
▸ PLA2G2A P14555 4/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PLA2G4A P47712 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL4402395 0.76 HASPIN (0.47) ICMTHASPINPLA2G2AKMT2AALDH1A1
SCHEMBL13594564 0.70 HASPIN (0.42) HASPINPLA2G2APOLBMAPT
SCHEMBL4399845 0.67 CACNB4 (0.54) ICMTPLA2G4A
SCHEMBL20248221 0.66 MEN1 (0.62) KMT2AALDH1A1MEN1POLBMAPT
SCHEMBL8256750 0.66 HDAC1 (0.57) —
SCHEMBL8805590 0.65 YES1 (0.55) ICMTPLA2G2AKMT2AALDH1A1KDM4E
SCHEMBL8805746 0.63 YES1 (0.69) ICMTPLA2G2AKMT2APLA2G4AMEN1
SCHEMBL29092487 0.62 ICMT (0.50) ICMTPLA2G2AKMT2AALDH1A1PLA2G4A
SCHEMBL8804492 0.62 YES1 (0.54) ICMTKMT2AMEN1POLBNPC1
SCHEMBL17145114 0.62 KDM5B (0.46) ICMTHASPINKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629319-B2 Heteroaryl peptidomimetics as thrombin receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-08 — — US disclosed
US-7618945-B2 Heteroaryl peptidomimetics as thrombin receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2009-11-17 — — US disclosed
US-20060009396-A1 Novel heteroaryl peptidomimetics as thrombin receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-12 — — US disclosed
US-20040138141-A1 Novel heteroaryl peptidomimetics as thrombin receptor antagonists JANSSEN PHARMACEUTICA, NV (BE) 2004-07-15 — — US 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 (2 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-20060009396-A1 Novel heteroaryl peptidomimetics as thrombin receptor antagonists PTAFR, F2R, F2RL1 ICMT 4074/4885HASPIN 649/4885PLA2G2A 3214/4885
US-20040138141-A1 Novel heteroaryl peptidomimetics as thrombin receptor antagonists PTAFR, F2R, F2RL1 ICMT 4074/4885HASPIN 649/4885PLA2G2A 3214/4885

“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.

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