SCHEMBL4151078

SCHEMBL4151078

CCc1c(-c2cccc([N+](=O)[O-])c2)nc(-c2cccc(F)c2O)n(CCc2cccc(F)c2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASR P41180 17/20 0.51
NR1I2 O75469 5/20 0.51
CFTR P13569 2/20 0.43

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
SCHEMBL4138622 0.88 CASR (0.63) CASRNR1I2
SCHEMBL4152394 0.83 CASR (0.52) CASRNR1I2
SCHEMBL3382480 0.83 CASR (0.70) CASRNR1I2
SCHEMBL4144973 0.77 CASR (0.54) CASRNR1I2
SCHEMBL13851663 0.76 CASR (0.87) CASRNR1I2
SCHEMBL3382630 0.75 CASR (0.69) CASRNR1I2
SCHEMBL4143882 0.75 CASR (0.67) CASRNR1I2
SCHEMBL13851660 0.74 CASR (0.66) CASRNR1I2
SCHEMBL3381170 0.74 CASR (0.67) CASRNR1I2
SCHEMBL3380704 0.73 CASR (0.66) CASRNR1I2

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
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US claimed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB CASR 12/4885NR1I2 3373/4885CFTR 1963/4885

“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.