SCHEMBL799840

SCHEMBL799840

Cc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 1.00
KCNH2 Q12809 5/20 0.86
F2 P00734 1/20 0.78

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
SCHEMBL10177790 0.93 F10 (1.00) F10KCNH2F2
SCHEMBL14345360 0.92 F10 (1.00) F10KCNH2F2
SCHEMBL10063542 0.91 F10 (0.88) F10KCNH2F2
SCHEMBL13038369 0.90 F10 (0.88) F10KCNH2F2
SCHEMBL12132919 0.89 F10 (0.85) F10KCNH2F2
SCHEMBL10181142 0.89 F10 (0.85) F10KCNH2F2
SCHEMBL10146279 0.89 F10 (1.00) F10KCNH2F2
SCHEMBL13038370 0.88 F10 (0.79) F10KCNH2F2
Betrixaban SCHEMBL158591 0.87 F10 (1.00) F10KCNH2F2
SCHEMBL799533 0.87 F10 (0.86) F10KCNH2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946269-B2 Crystalline forms of a factor Xa inhibitor PORTOLA PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
US-20120071519-A1 CRYSTALLINE FORMS OF A FACTOR Xa INHIBITOR ALEXION PHARMACEUTICALS, INC. 2012-03-22 US disclosed
US-20120046230-A1 Combination Anticoagulant Therapy With A Compound That Acts As A Factor Xa Inhibitor MILLENNIUM PHARMACEUTICALS, INC. 2012-02-23 US disclosed
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-7727981-B2 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20090131411-A1 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders MILLENNIUM PHARMACEUTICALS, INC. 2009-05-21 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 (4 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-20090131411-A1 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders F12, F2, PIGS F10 19/4885KCNH2 2996/4885F2 2/4885
US-20120071519-A1 CRYSTALLINE FORMS OF A FACTOR Xa INHIBITOR F12, F9, F11 F10 5/4885KCNH2 2595/4885F2 8/4885
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F10 13/4885KCNH2 1032/4885F2 5/4885
US-20120046230-A1 Combination Anticoagulant Therapy With A Compound That Acts As A Factor Xa Inhibitor SERPINC1, F2, TFPI F10 6/4885KCNH2 1976/4885F2 2/4885

“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.