SCHEMBL6164499

SCHEMBL6164499

CC(C)(C)OC(=O)Nc1ccc(-c2cccnc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.67
CYP17A1 P05093 4/20 0.62
PORCN Q9H237 1/20 0.56
BCL2 P10415 2/20 0.53
KDR P35968 3/20 0.53
BECN1 Q14457 1/20 0.51
MKNK1 Q9BUB5 2/20 0.50
MKNK2 Q9HBH9 2/20 0.50
PSMB8 P28062 1/20 0.50
MAP4K4 O95819 1/20 0.49
WNT3A P56704 1/20 0.49
RAB9A P51151 1/20 0.49
KIF11 P52732 1/20 0.49

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
SCHEMBL3491473 0.89 CYP17A1 (0.61) NAMPTCYP17A1PORCNBCL2KDR
SCHEMBL6756707 0.86 NAMPT (0.60) NAMPTCYP17A1PORCNBCL2RAB9A
SCHEMBL29457342 0.84 NAMPT (0.80) NAMPTRAB9A
SCHEMBL349933 0.84 NAMPT (0.80) NAMPTRAB9A
SCHEMBL4759920 0.84 CYP17A1 (0.79) NAMPTCYP17A1BCL2BECN1PSMB8
SCHEMBL18570243 0.84 CYP17A1 (0.61) NAMPTCYP17A1BCL2BECN1PSMB8
SCHEMBL20865536 0.83 CYP17A1 (0.68) NAMPTCYP17A1PSMB8MAP4K4KIF11
SCHEMBL1439714 0.83 NAMPT (0.57) NAMPTCYP17A1PORCNBCL2RAB9A
SCHEMBL30752011 0.83 NAMPT (0.57) NAMPTCYP17A1PORCNBCL2RAB9A
SCHEMBL3490522 0.83 NAMPT (0.54) NAMPTCYP17A1PORCN

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
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO 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 (1 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI NAMPT 348/4885CYP17A1 517/4885PORCN 1851/4885

“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.