SCHEMBL2262308

SCHEMBL2262308

OCc1c(-c2ccc(O)cc2)nnn1-c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 9/20 0.42
GABRA2 P47869 4/20 0.42
GABRB2 P47870 4/20 0.42
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 2/20 0.40
MAP2K4 P45985 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40
MAPK6 Q16659 1/20 0.40
MARS1 P56192 1/20 0.38
GRM2 Q14416 1/20 0.38
KIF11 P52732 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
DGAT1 O75907 1/20 0.34
KCNH2 Q12809 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
SCHEMBL2260858 0.90 GABRA2 (0.43) GABRB3GABRA2GABRB2MAPK1MAP2K4
SCHEMBL2261831 0.87 GABRB3 (0.42) GABRB3GABRA2GABRB2CYP1A2MEN1
SCHEMBL549152 0.85 GABRA2 (0.58) GABRB3GABRA2GABRB2MAPK1MAP2K4
SCHEMBL1550851 0.84 GABRA2 (0.43) GABRB3GABRA2GABRB2MAPK1MAP2K4
SCHEMBL2260964 0.76 POLB (0.44) GABRB3GABRA2GABRB2MEN1KMT2A
SCHEMBL1551160 0.76 RAB9A (0.42) GABRB3GABRA2GABRB2MEN1KMT2A
SCHEMBL18321922 0.76 GABRA2 (0.46) GABRB3GABRA2GABRB2MARS1
SCHEMBL20249062 0.74 GABRA2 (0.44) GABRB3GABRA2GABRB2MARS1MAPT
SCHEMBL548243 0.71 GABRA2 (0.47) GABRA2GABRB2MAPK1MAP2K4MAPKAPK2
SCHEMBL548181 0.70 POLB (0.59) GABRB3GABRA2GABRB2MEN1MAPT

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-20110201656-A1 NOVEL DIPHENYL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-08-18 US claimed
CN-102123992-A Novel diphenyl 1,2,3-triazole derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH AS 2011-07-13 CN claimed
US-20110201656-A1 NOVEL DIPHENYL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-08-18 US disclosed
CN-102123992-A Novel diphenyl 1,2,3-triazole derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH AS 2011-07-13 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-20110201656-A1 NOVEL DIPHENYL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA3, CHRNB3, CHRNA5 GABRB3 168/4885GABRA2 331/4885GABRB2 326/4885

“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.