SCHEMBL1887973

SCHEMBL1887973

Nc1c(Br)cncc1-c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 12/20 0.50
CYP11B1 P15538 11/20 0.50
MPL P40238 1/20 0.47
FEN1 P39748 7/20 0.45
ALOX5AP P20292 6/20 0.45

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
SCHEMBL1886802 0.79 MPL (0.46) CYP11B2CYP11B1MPLFEN1ALOX5AP
SCHEMBL1886904 0.78 FEN1 (0.50) CYP11B2CYP11B1MPLFEN1ALOX5AP
SCHEMBL1658180 0.75 FEN1 (0.47) CYP11B2CYP11B1MPLFEN1ALOX5AP
SCHEMBL23255324 0.73 CYP11B2 (0.50) CYP11B2CYP11B1MPLFEN1ALOX5AP
SCHEMBL17255938 0.73 GAA (0.33)
SCHEMBL31058977 0.72 CYP11B1 (0.34) CYP11B2CYP11B1
SCHEMBL26152275 0.72 CYP11B1 (0.34) CYP11B2CYP11B1
SCHEMBL1890443 0.72 FEN1 (0.44) CYP11B2CYP11B1MPLFEN1ALOX5AP
SCHEMBL23255418 0.71 CYP1A2 (0.55) CYP11B2CYP11B1MPLFEN1ALOX5AP
SCHEMBL16654277 0.69 CYP11B2 (0.64) CYP11B2CYP11B1

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-20110105543-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-05-05 US disclosed
CN-101970406-A Novel triaryl derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH AS 2011-02-09 CN disclosed
EP-2262767-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NeuroSearch A/S (DK) 2010-12-22 EP disclosed
WO-2009112461-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2009-09-17 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-20110105543-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA5, CHRNA3, CHRM3 CYP11B2 1545/4885CYP11B1 1354/4885MPL 4052/4885

“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.