SCHEMBL6165966

SCHEMBL6165966

N#Cc1cccc(C(C(N)=O)(c2ccccc2)c2cccc(C#N)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 12/20 0.59
KIF11 P52732 2/20 0.48
VNN1 O95497 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 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 0.95 KCNN4 (0.55) KCNN4KIF11VNN1HTTKCNE1
SCHEMBL7101543 0.95 KCNN4 (0.55) KCNN4KIF11VNN1HTTKCNE1
SCHEMBL6167052 0.85 KCNN4 (0.61) KCNN4KIF11LMNAKCNE1KCNQ1
SCHEMBL1689259 0.81 KIF11 (0.44) KCNN4KIF11VNN1GRIN2DGRIN3B
SCHEMBL812971 0.78 KCNN4 (0.76) KCNN4HTTKCNE1KCNQ1TSHR
SCHEMBL13950934 0.75 KCNN4 (1.00) KCNN4KIF11KCNE1KCNQ1MAPT
SCHEMBL3937789 0.73 SGK1 (0.47) KIF11VNN1HTTMAPTKMT2A
SCHEMBL22285654 0.73 PTPN5 (0.46) KIF11VNN1HTTMAPTKMT2A
Bicarbonate SCHEMBL11598627 0.72 GSK3B (0.55) HTTLMNATSHRMAPTKMT2A
Benzonitrile SCHEMBL15822038 0.72 TSHR (0.70) HTTLMNATSHRMAPTKMT2A

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 4602/4885VNN1 345/4885

“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.