SCHEMBL6163423

SCHEMBL6163423

CSc1nncn1-c1ccc(C2(C(N)=O)CC2c2cccc(C#N)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSZ Q9UBR2 1/20 0.38
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
EP300 Q09472 1/20 0.31
NOTUM Q6P988 1/20 0.31
ABCC9 O60706 1/20 0.30
ABCC8 Q09428 1/20 0.30
KCNJ11 Q14654 1/20 0.30
KCNJ8 Q15842 1/20 0.30
VNN1 O95497 1/20 0.30

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
SCHEMBL7100220 0.88 CA1 (0.34) CTSZALDH1A1CA1CA2CA4
SCHEMBL6166094 0.71 F10 (0.37)
SCHEMBL6167086 0.71 ESR2 (0.39) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6165556 0.68 F10 (0.43)
SCHEMBL6162233 0.66 ALOX5AP (0.40)
SCHEMBL6163785 0.65 EPHX1 (0.44) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6162237 0.64 MAPK14 (0.34)
SCHEMBL6163390 0.63 NR1I2 (0.36)
SCHEMBL6628664 0.60 CHRM1 (0.56)
SCHEMBL31083652 0.60 DRD2 (0.47) ABCC9ABCC8KCNJ11KCNJ8

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 CTSZ 535/4885ALDH1A1 1388/4885CA1 731/4885

“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.