SCHEMBL2260964

SCHEMBL2260964

COc1ccc(-c2nnn(-c3ccc(C(F)(F)F)cc3Cl)c2CN)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GABRB3 P28472 4/20 0.42
GABRA2 P47869 3/20 0.42
GABRB2 P47870 3/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42

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
SCHEMBL1551160 0.90 RAB9A (0.42) POLBRAB9AKDM4ENPC1ALDH1A1
SCHEMBL2261831 0.90 GABRB3 (0.42) POLBRAB9AKDM4ENPC1ALDH1A1
SCHEMBL548181 0.87 POLB (0.59) POLBRAB9AKDM4ENPC1ALDH1A1
SCHEMBL2260858 0.86 GABRA2 (0.43) GABRB3GABRA2GABRB2MEN1KMT2A
SCHEMBL1551144 0.85 RAB9A (0.45) POLBRAB9AKDM4ENPC1ALDH1A1
SCHEMBL2262308 0.76 GABRB3 (0.42) GABRB3GABRA2GABRB2MEN1KMT2A
SCHEMBL18321922 0.75 GABRA2 (0.46) RAB9ANPC1ALDH1A1GABRB3GABRA2
SCHEMBL549105 0.75 POLB (0.54) POLBRAB9AKDM4ENPC1GABRB3
SCHEMBL549116 0.75 POLB (0.54) POLBRAB9AKDM4EALDH1A1GABRB3
SCHEMBL548339 0.74 POLB (0.62) POLBRAB9ANPC1SMN1; SMN2GABRB3

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 2 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
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

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 POLB 3792/4885RAB9A 3548/4885KDM4E 3021/4885

“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.