SCHEMBL6168451

SCHEMBL6168451

N#Cc1cccc(C2=C(C(N)=O)CCC2c2ccc(-c3cccnc3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.43
SCN9A Q15858 2/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA5 P30532 1/20 0.42
CHRNA4 P43681 1/20 0.42
MKNK1 Q9BUB5 7/20 0.42
MKNK2 Q9HBH9 7/20 0.42
CYP11B1 P15538 3/20 0.41
CYP17A1 P05093 1/20 0.41
ATR Q13535 1/20 0.41
PAX8 Q06710 1/20 0.41
KDM1A O60341 1/20 0.39
CDC7 O00311 1/20 0.39
NEK1 Q96PY6 1/20 0.38

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
SCHEMBL6171571 0.83 GRM5 (0.43) KDM1A
SCHEMBL6171901 0.74 ALOX5AP (0.39) PAX8
SCHEMBL29809001 0.70 CYP11B2 (0.71) CYP11B2CHRNB2CHRNA5CHRNA4MKNK1
SCHEMBL13537172 0.70 CYP11B2 (0.71) CYP11B2CHRNB2CHRNA5CHRNA4MKNK1
SCHEMBL6168448 0.67 ATR (0.52) CYP11B2CYP11B1ATR
SCHEMBL14082560 0.67 CYP11B2 (0.65) CYP11B2MKNK1MKNK2CYP11B1ATR
SCHEMBL6188982 0.64 CYP11B2 (1.00) CYP11B2CHRNB2CHRNA5CHRNA4MKNK1
SCHEMBL30712752 0.64 CYP11B2 (1.00) CYP11B2CHRNB2CHRNA5CHRNA4MKNK1
SCHEMBL4331170 0.62 CYP3A4 (0.67) CYP11B2CHRNB2CHRNA5CHRNA4CYP11B1
SCHEMBL1690481 0.62 CYP11B2 (0.68) CYP11B2CHRNB2CHRNA5CHRNA4MKNK1

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 CYP11B2 617/4885SCN9A 1232/4885CHRNB2 4636/4885

“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.