SCHEMBL6553675

SCHEMBL6553675

COC(=O)c1ccc(C#N)cc1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA9 Q16790 5/20 0.48
PDK2 Q15119 1/20 0.43
MMP3 P08254 1/20 0.40
KCNH2 Q12809 1/20 0.40
MGLL Q99685 2/20 0.39
SCN9A Q15858 1/20 0.39
IDO1 P14902 1/20 0.38
BCHE P06276 1/20 0.38
CNR2 P34972 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
ATR Q13535 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2470561 0.91 CA12 (0.46) CA12CA1CA2CA9PDK2
SCHEMBL4684512 0.84 CA12 (0.47) CA12CA1CA2CA9PDK2
SCHEMBL3151989 0.84 CA12 (0.52) CA12CA1CA2CA9PDK2
SCHEMBL17992563 0.84 CA12 (0.49) CA12CA1CA2CA9PDK2
SCHEMBL6554076 0.83 CA12 (0.46) CA12CA1CA2CA9PDK2
SCHEMBL23457849 0.83 CA12 (0.48) CA12CA1CA2CA9PDK2
SCHEMBL3156526 0.83 FFAR4 (0.48) CA12CA1CA2CA9PDK2
SCHEMBL15525387 0.83 IDO1 (0.50) CA12CA1CA2CA9PDK2
SCHEMBL12336591 0.83 CA12 (0.44) CA12CA1CA2CA9PDK2
SCHEMBL6553860 0.82 CA12 (0.46) CA12CA1CA2CA9PDK2

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 9 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-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
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 (3 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 CA12 4425/4885CA1 3403/4885CA2 3566/4885
US-20020193348-A1 Benzamidine derivatives SERPINC1, SERPINE1, TFPI CA12 4375/4885CA1 3061/4885CA2 2678/4885
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli SERPINC1, SERPINE1, F2 CA12 2481/4885CA1 1471/4885CA2 1711/4885

“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.