SCHEMBL4467016

SCHEMBL4467016

NC(=O)Cn1cnc(C=O)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.31
ALPL P05186 4/20 0.31
PLAA Q9Y263 2/20 0.31
ALPG P10696 2/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL27295424 0.83 KDM4E (0.33) L3MBTL1
SCHEMBL3734570 0.76 RAB9A (0.50) CA12CA1CA2CA9
SCHEMBL24621515 0.74 KDM4E (0.39) L3MBTL1
SCHEMBL1178916 0.74 ALPL (0.53) CA12CA1CA2CA9ALPL
SCHEMBL19359838 0.74 EGLN3 (0.43)
SCHEMBL14316067 0.73
SCHEMBL2428021 0.73
SCHEMBL3910931 0.70 KDM5A (0.41)
SCHEMBL12458257 0.70 FGFR1 (0.32)
SCHEMBL20370828 0.70 CA12 (0.36) CA12CA1CA2CA9IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
US-7531542-B2 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-12 US disclosed
US-7531542-B2 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-12 US disclosed
US-20060264631-A1 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2006-11-23 US 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-20060264631-A1 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor GNRHR, GHRHR, LHCGR CA12 2433/4885CA1 1904/4885CA2 2306/4885

“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.