SCHEMBL6553729

SCHEMBL6553729

N#Cc1ccc(C=COP(=O)(O)O)c(OCCNC(=O)c2ccc(C(=O)NN3CCCC3)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.38
POLB P06746 1/20 0.38
NAMPT P43490 1/20 0.36
PKM P14618 1/20 0.36
DPP4 P27487 2/20 0.35
SCN9A Q15858 3/20 0.35
F10 P00742 2/20 0.35
DRD3 P35462 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
MCHR1 Q99705 1/20 0.35
F2 P00734 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ADAM17 P78536 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL6553831 0.81 F10 (0.38) PKMF10F2NPC1RAB9A
Trifluoroacetic Acid SCHEMBL6553736 0.79 F10 (0.39) CDK1POLBNAMPTPKMDPP4
SCHEMBL6555091 0.78 GPR119 (0.50) F10F2
SCHEMBL6555353 0.77 CA12 (0.40) CDK1POLBSCN9A
Trifluoroacetic Acid SCHEMBL6857491 0.73 F10 (0.36) F10F2NPC1RAB9AALDH1A1
SCHEMBL3900223 0.69 F10 (0.44) CDK1F10DRD3F2EGLN1
SCHEMBL3903019 0.69 F10 (0.46) CDK1NAMPTDPP4F10DRD3
SCHEMBL3903208 0.69 CDK1 (0.39) CDK1F10DRD3EGLN1ALDH1A1
SCHEMBL3903206 0.69 CDK1 (0.39) CDK1F10DRD3EGLN1ALDH1A1
SCHEMBL3903021 0.69 F10 (0.48) CDK1F10DRD3F2EGLN1

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-6784191-B2 AS BLOOD-COAGULATION INHIBITOR OR AN AGENT FOR THERAPY AND PROPHYLAXIS OF THROMBOSIS OR EMBOLISM, CONTAINING AJINOMOTO CO., INC. (JP) 2004-08-31 US disclosed
EP-1236735-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2004-02-25 EP disclosed
US-20020193348-A1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2002-12-19 US disclosed
EP-1236735-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2002-09-04 EP 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 (1 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-20020193348-A1 Benzamidine derivatives SERPINC1, SERPINE1, TFPI CDK1 143/4885POLB 3072/4885NAMPT 1209/4885

“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.