SCHEMBL6161708

SCHEMBL6161708

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.59
▸ CHRNA4 P43681 2/20 0.59
▸ CHRNB4 P30926 1/20 0.59
▸ CHRNA3 P32297 1/20 0.59
▸ CNR2 P34972 1/20 0.51
▸ FNTA P49354 1/20 0.48
▸ FNTB P49356 1/20 0.48
▸ KLKB1 P03952 2/20 0.47
▸ KLK1 P06870 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ AKR1B1 P15121 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ ELANE P08246 2/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ DRD2 P14416 2/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ CHRM3 P20309 1/20 0.44

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
SCHEMBL6167443 0.91 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3CNR2
SCHEMBL15606149 0.90 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3CNR2
SCHEMBL6164524 0.89 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3CNR2
SCHEMBL6182120 0.88 CHRNB2 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3CNR2
SCHEMBL15606118 0.82 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3CNR2
SCHEMBL15606132 0.81 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CNR2
SCHEMBL15606189 0.80 MTTP (0.61) CHRNB2CHRNA4CHRNB4CHRNA3CNR2
SCHEMBL15606186 0.80 HPGD (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CNR2
SCHEMBL6237497 0.80 CHRM3 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3CNR2
SCHEMBL15606116 0.79 CA2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3KMT2A

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 CHRNB2 4636/4885CHRNA4 4237/4885CHRNB4 4730/4885

“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.

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