SCHEMBL6873642

SCHEMBL6873642

COC(=O)/C(=C\c1ccc(C#N)cc1OCCNC(=O)C1CCN(c2cc[n+](C)cc2)CC1)NC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 7/20 0.38
CHRM2 P08172 2/20 0.37
CHRM1 P11229 1/20 0.37
F10 P00742 3/20 0.37
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 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
SCHEMBL6873645 1.00 CHRM4 (0.38) CHRM4CHRM2CHRM1F10KDM4E
SCHEMBL3907767 0.91 F10 (0.47) CHRM4CHRM2CHRM1F10KDM4E
SCHEMBL3907764 0.91 F10 (0.47) CHRM4CHRM2CHRM1F10KDM4E
Trifluoroacetic Acid SCHEMBL3895690 0.87 F10 (0.45) CHRM4CHRM2CHRM1F10
SCHEMBL3903208 0.80 CDK1 (0.39) F10ALDH1A1KMT2A
SCHEMBL3903206 0.80 CDK1 (0.39) F10ALDH1A1KMT2A
SCHEMBL3896456 0.76 PPARD (0.35) KDM4EALDH1A1KMT2A
SCHEMBL3896455 0.76 PPARD (0.35) KDM4EALDH1A1KMT2A
Hydrochloric Acid SCHEMBL3898010 0.75 PPARD (0.34) KDM4EALDH1A1KMT2A
Hydrochloric Acid SCHEMBL3898008 0.75 PPARD (0.34) KDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812231-B2 INHIBITING ACTIVATED BLOOD-COAGULATION FACTOR X AJINOMOTO CO., INC. (JP) 2004-11-02 US disclosed
US-20020107290-A1 Benzamidine derivative AJINOMOTO CO., INC. (JP) 2002-08-08 US disclosed
US-6410538-B2 ANTICOAGULANT OR AN AGENT FOR TREATING OR PREVENTING THROMBI OR EMBOLI AJINOMOTO CO., INC. (JP) 2002-06-25 US disclosed
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli AJINOMOTO CO., INC (JP) 2001-12-27 US disclosed
EP-1086946-A1 BENZAMIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2001-03-28 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 (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-20020107290-A1 Benzamidine derivative SERPINE1, SERPINC1, TFPI CHRM4 4403/4885CHRM2 3592/4885CHRM1 2174/4885
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli SERPINC1, SERPINE1, F2 CHRM4 4293/4885CHRM2 3556/4885CHRM1 2324/4885

“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.