SCHEMBL6167052

SCHEMBL6167052

N#Cc1ccc(C(C(N)=O)(c2ccccc2)c2ccc(C#N)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 14/20 0.61
KIF11 P52732 1/20 0.47
KCNE1 P15382 1/20 0.47
KCNQ1 P51787 1/20 0.47
TSHR P16473 1/20 0.45
MAPT P10636 2/20 0.44
KMT2A Q03164 1/20 0.44
PTPN5 P54829 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6163962 0.91 KCNN4 (0.55) KCNN4KIF11KCNE1KCNQ1TSHR
SCHEMBL7101543 0.91 KCNN4 (0.55) KCNN4KIF11KCNE1KCNQ1TSHR
SCHEMBL6165966 0.85 KCNN4 (0.59) KCNN4KIF11KCNE1KCNQ1TSHR
SCHEMBL812971 0.82 KCNN4 (0.76) KCNN4KCNE1KCNQ1TSHRMAPT
Benzonitrile SCHEMBL15822038 0.76 TSHR (0.70) TSHRMAPTKMT2AALDH1A1LMNA
Benzonitrile SCHEMBL7379370 0.76 TSHR (0.70) TSHRMAPTKMT2AALDH1A1LMNA
Senicapoc SCHEMBL1443805 0.76 KCNN4 (1.00) KCNN4KIF11KCNE1KCNQ1MAPT
SCHEMBL18782553 0.76 KCNN4 (0.72) KCNN4KIF11KCNE1KCNQ1TSHR
SCHEMBL2337394 0.76 KCNN4 (1.00) KCNN4KIF11KCNE1KCNQ1MAPT
SCHEMBL914557 0.75 CYP3A4 (0.57) KIF11TSHRMAPTPTPN5ALDH1A1

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 KCNN4 4024/4885KIF11 4602/4885KCNE1 3379/4885

“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.