SCHEMBL549131

SCHEMBL549131

Nc1c(-c2ccc(OC(F)(F)F)cc2)nnn1-c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
POLB P06746 1/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCN5A Q14524 5/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
DHFR P00374 2/20 0.35
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
SRC P12931 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
SCHEMBL549105 0.88 POLB (0.54) GABRA2GABRB2POLBNPC1RAB9A
SCHEMBL548238 0.87 GABRA2 (0.49) GABRA2GABRB2POLBNPC1RAB9A
SCHEMBL549092 0.84 GABRA2 (0.53) GABRA2GABRB2POLBNPC1RAB9A
SCHEMBL548243 0.84 GABRA2 (0.47) GABRA2GABRB2POLBNPC1RAB9A
SCHEMBL549116 0.79 POLB (0.54) GABRA2GABRB2POLBRAB9AMAPT
SCHEMBL549151 0.79 NOTUM (0.46) GABRA2GABRB2NPC1RAB9AMAPT
SCHEMBL1550424 0.77 RAB9A (0.53) POLBNPC1RAB9AMAPTL3MBTL1
SCHEMBL548181 0.76 POLB (0.59) GABRA2GABRB2POLBNPC1RAB9A
SCHEMBL18328168 0.75 CA12 (0.47) SCN5ASCN1ASCN2ACYP1A2PTGS2
SCHEMBL2258147 0.75 IDO1 (0.42) GABRA2GABRB2POLBRAB9AMAPT

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-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
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

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 GABRA2 291/4885GABRB2 281/4885POLB 4113/4885

“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.