SCHEMBL7101543

SCHEMBL7101543

N#Cc1ccc(C(C(N)=O)(c2ccccc2)c2cccc(C#N)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 12/20 0.55
KIF11 P52732 3/20 0.45
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
TSHR P16473 1/20 0.41
PTPN5 P54829 1/20 0.41
VNN1 O95497 1/20 0.39
HTT P42858 1/20 0.39

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 1.00 KCNN4 (0.55) KCNN4KIF11MEN1ALDH1A1MAPT
SCHEMBL6165966 0.95 KCNN4 (0.59) KCNN4KIF11MAPTKMT2AKCNE1
SCHEMBL6167052 0.91 KCNN4 (0.61) KCNN4KIF11ALDH1A1MAPTKMT2A
SCHEMBL1689259 0.78 KIF11 (0.44) KCNN4KIF11MEN1ALDH1A1MAPT
SCHEMBL812971 0.75 KCNN4 (0.76) KCNN4MAPTKMT2AKCNE1KCNQ1
Benzonitrile SCHEMBL15822038 0.73 TSHR (0.70) MEN1ALDH1A1MAPTKMT2ATSHR
Benzonitrile SCHEMBL7379370 0.73 TSHR (0.70) MEN1ALDH1A1MAPTKMT2ATSHR
SCHEMBL13950934 0.71 KCNN4 (1.00) KCNN4KIF11MAPTKMT2AKCNE1
SCHEMBL22285654 0.70 PTPN5 (0.46) KIF11MEN1ALDH1A1MAPTKMT2A
SCHEMBL14437487 0.70 KCNN4 (1.00) KCNN4MAPTKMT2AKCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US 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 4602/4885MEN1 3229/4885

“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.