SCHEMBL549146

SCHEMBL549146

Nc1c(-c2ccc(C(F)(F)F)cc2F)nnn1-c1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.40
ALOX5AP P20292 3/20 0.39
FEN1 P39748 3/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
IDO1 P14902 3/20 0.37
TDO2 P48775 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD11B1 P28845 1/20 0.36
SRC P12931 1/20 0.36
BRAF P15056 1/20 0.36
KDR P35968 1/20 0.36
GRM2 Q14416 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL27813958 0.88 GABRA2 (0.48) MPLALOX5APFEN1GABRA2GABRB2
SCHEMBL548171 0.85 POLB (0.47) MPLALOX5APFEN1IDO1TDO2
SCHEMBL549110 0.84 CA1 (0.48) IDO1TDO2PTGS2KEAP1
SCHEMBL6519878 0.80 GRM2 (0.52) MPLALOX5APFEN1IDO1MAPT
SCHEMBL548243 0.79 GABRA2 (0.47) ALOX5APFEN1GABRA2GABRB2MAPT
SCHEMBL1293003 0.78 MAPT (0.35) ALOX5APFEN1IDO1TDO2MAPT
SCHEMBL549152 0.71 GABRA2 (0.58) GABRA2GABRB2MAPTRAB9ANPC1
SCHEMBL1893696 0.71 FEN1 (0.47) MPLALOX5APFEN1GRM2MAPK1
SCHEMBL1888242 0.70 FEN1 (0.49) MPLALOX5APFEN1MAPK1MAP2K4
SCHEMBL1891048 0.70 FEN1 (0.49) MPLALOX5APFEN1MAPK1MAP2K4

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
US-8110588-B2 1,2,3-triazole derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH A/S (DK) 2012-02-07 US claimed
US-20100222398-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-09-02 US claimed
CN-101796034-A Novel 1,2,3-triazole derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH AS 2010-08-04 CN claimed
US-8110588-B2 1,2,3-triazole derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH A/S (DK) 2012-02-07 US disclosed
US-20100222398-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-09-02 US disclosed
CN-101796034-A Novel 1,2,3-triazole derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH AS 2010-08-04 CN 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-20100222398-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA3, CHRNB3, CHRNA5 MPL 2869/4885ALOX5AP 3063/4885FEN1 4748/4885

“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.