SCHEMBL6161703

SCHEMBL6161703

CC1=C(N)C(=NO)CC=C1c1ncccc1C(=O)Nc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.41
F10 P00742 5/20 0.40
HDAC1 Q13547 1/20 0.38
F2 P00734 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
PRKDC P78527 1/20 0.36
ATM Q13315 1/20 0.36
ATR Q13535 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
PRKCI P41743 1/20 0.35
LMNA P02545 2/20 0.35

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
Trifluoroacetic Acid SCHEMBL7106445 0.95 F10 (0.42) TRPV1F10HDAC1F2PRSS1
SCHEMBL6163134 0.89 F10 (0.38) TRPV1F10PSEN1PSEN2APH1B
SCHEMBL6166341 0.87 TRPV1 (0.37) TRPV1F10HDAC1F2PRSS1
SCHEMBL6164925 0.85 F10 (0.46) TRPV1F10F2PRSS1PRSS2
SCHEMBL6164425 0.85 F10 (0.54) F10F2PRSS1PRSS2PRSS3
SCHEMBL6162562 0.84 F10 (0.45) TRPV1F10F2PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7107547 0.84 F10 (0.37) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7101266 0.81 F10 (0.51) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7108370 0.81 F10 (0.58) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7106428 0.81 F10 (0.37) TRPV1F10F2PRSS1PRSS2

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 TRPV1 3359/4885F10 11/4885HDAC1 533/4885

“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.