SCHEMBL549151

SCHEMBL549151

Nc1c(-c2ccc(-c3nnco3)cc2)nnn1-c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 0.46
NPBWR1 P48145 1/20 0.45
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 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
SCHEMBL548238 0.84 GABRA2 (0.49) GABRA2GABRB2NPC1RAB9AALDH1A1
SCHEMBL549092 0.82 GABRA2 (0.53) GABRA2GABRB2HTTHPGDNPC1
SCHEMBL548243 0.82 GABRA2 (0.47) GABRA2GABRB2HPGDNPC1RAB9A
SCHEMBL549131 0.79 GABRA2 (0.45) GABRA2GABRB2NPC1RAB9AKDM4E
SCHEMBL549105 0.79 POLB (0.54) GABRA2GABRB2LMNANPC1RAB9A
SCHEMBL548989 0.74 KDM4E (0.43) GABRA2GABRB2LMNAHPGDNPC1
SCHEMBL6408072 0.72 NOTUM (0.65) NOTUMNPBWR1LMNAHTTHPGD
SCHEMBL549116 0.70 POLB (0.54) GABRA2GABRB2RAB9AKDM4EALDH1A1
SCHEMBL549152 0.69 GABRA2 (0.58) GABRA2GABRB2NPC1RAB9AMAPT
SCHEMBL1550424 0.68 RAB9A (0.53) LMNANPC1RAB9AMAPT

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 NOTUM 1402/4885NPBWR1 502/4885GABRA2 291/4885

“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.