SCHEMBL3905429

SCHEMBL3905429

COC(=O)/C(=C\c1ccc(C#N)cc1OCCNC(=O)OC(C)(C)C)NC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
PDK2 Q15119 1/20 0.34
SCN9A Q15858 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
RORC P51449 1/20 0.33
CDK1 P06493 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
IDO1 P14902 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
MMP3 P08254 1/20 0.32

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
SCHEMBL3905431 1.00 CA12 (0.39) CA12CA1CA2CA9CCNC
SCHEMBL3896455 0.83 PPARD (0.35) KDM4ECDK1MMP3
SCHEMBL3896456 0.83 PPARD (0.35) KDM4ECDK1MMP3
SCHEMBL6553860 0.82 CA12 (0.46) CA12CA1CA2CA9CCNC
Hydrochloric Acid SCHEMBL3898010 0.82 PPARD (0.34) KDM4ECDK1MMP3
Hydrochloric Acid SCHEMBL3898008 0.82 PPARD (0.34) KDM4ECDK1MMP3
SCHEMBL13901306 0.79 CYP1A2 (0.41) KDM4E
SCHEMBL3894607 0.79 RORC (0.40) CCNCCDK8KDM4ERORCCDK1
SCHEMBL3899270 0.79 GPR119 (0.48) CCNCCDK8
SCHEMBL3899273 0.79 GPR119 (0.48) CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
EP-1236712-B1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO KK (JP) 2008-08-06 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
US-6812231-B2 INHIBITING ACTIVATED BLOOD-COAGULATION FACTOR X AJINOMOTO CO., INC. (JP) 2004-11-02 US disclosed
US-6710056-B2 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVE AN EXCELLENT ANTAGONISTIC EFFECT AGAINST ACTIVATED BLOOD COAGULATION FACTOR VII. AJINOMOTO CO., INC. (JP) 2004-03-23 US disclosed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US disclosed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE 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-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli SERPINC1, SERPINE1, F2 CA12 2481/4885CA1 1471/4885CA2 1711/4885
US-20030109547-A1 Amidinophenylpyruvic acid derivatives HABP2, F2, F7 CA12 3110/4885CA1 1998/4885CA2 798/4885

“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.