SCHEMBL5222684

SCHEMBL5222684

CCOC(=O)c1ccc(Sc2ccncc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
ESR1 P03372 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
ESR2 Q92731 1/20 0.54
CA14 Q9ULX7 1/20 0.54
NAMPT P43490 5/20 0.53
LMNA P02545 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAOA P21397 1/20 0.53
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPK1 P28482 2/20 0.51

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
SCHEMBL28510538 0.90 CA1 (0.66) PTGIRCA12CA1CA2ESR1
SCHEMBL2796792 0.85 CA12 (0.59) CA12CA1CA2ESR1CA7
Ethyl Isonicotinate SCHEMBL24935 0.84 CA12 (0.62) CA12CA1CA2ESR1CA7
SCHEMBL20544907 0.83 MEN1 (0.59) PTGIRCA12CA1CA2ESR1
Ethyl Isonicotinate SCHEMBL11194007 0.83 CA12 (0.60) CA12CA1CA2ESR1CA7
SCHEMBL17903191 0.81 MAPT (0.62) PTGIRNAMPTCYP1A2CYP3A4KMT2A
SCHEMBL3260304 0.81 CA12 (0.54) PTGIRCA12CA1CA2ESR1
SCHEMBL70217 0.79 CA1 (0.66) CA12CA1CA2ESR1CA7
SCHEMBL17737233 0.79 NAMPT (0.62) CA12CA1CA2ESR1CA7
SCHEMBL87450 0.78 CA1 (0.83) CA12CA1CA2ESR1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US disclosed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 US disclosed
US-6313122-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 US disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 PTGIR 1462/4885CA12 1735/4885CA1 1970/4885

“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.