SCHEMBL6872175

SCHEMBL6872175

CCOC(=O)/C=C/c1ccc(C#N)cc1OCCNC(=O)C1CCN(c2ccncc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.48
CHRM4 P08173 4/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
NAMPT P43490 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
LMNA P02545 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL6872177 1.00 F10 (0.48) F10CHRM4ITGB3ITGA2BNAMPT
SCHEMBL6873236 0.82 F10 (0.59) F10CHRM4ITGB3ITGA2BNAMPT
SCHEMBL3907767 0.82 F10 (0.47) F10CHRM4ITGB3ITGA2BNAMPT
SCHEMBL3907764 0.82 F10 (0.47) F10CHRM4ITGB3ITGA2BNAMPT
Trifluoroacetic Acid SCHEMBL3895690 0.79 F10 (0.45) F10CHRM4ITGB3ITGA2BNAMPT
SCHEMBL3971956 0.76 F10 (0.73) F10CHRM4
SCHEMBL6865272 0.74 CA12 (0.40) KDM4E
SCHEMBL6865268 0.74 CA12 (0.40) KDM4E
Trifluoroacetic Acid SCHEMBL6871112 0.73 F10 (0.66) F10CHRM4ITGB3ITGA2BCHRM2
SCHEMBL6873642 0.73 CHRM4 (0.38) F10CHRM4KDM4EALDH1A1HPGD

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-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

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 F10 21/4885CHRM4 4403/4885ITGB3 671/4885
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli SERPINC1, SERPINE1, F2 F10 16/4885CHRM4 4293/4885ITGB3 229/4885

“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.