SCHEMBL549067

SCHEMBL549067

Nc1c(-c2cc(Cl)ccc2O)nnn1-c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
TMPRSS4 Q9NRS4 4/20 0.40
MARS1 P56192 1/20 0.40
P2RX1 P51575 2/20 0.39
P2RX4 Q99571 2/20 0.39
P2RX7 Q99572 2/20 0.39
BIRC5 O15392 1/20 0.37
CHRNA7 P36544 1/20 0.37
CYP2C9 P11712 5/20 0.37
MAPT P10636 2/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2C19 P33261 4/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL549145 0.88 ALDH1A1 (0.43) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL548303 0.84 GABRA2 (0.44) GABRA2GABRB2CYP2C9MAPTALDH1A1
SCHEMBL549152 0.80 GABRA2 (0.58) GABRA2GABRB2MARS1MAPTNPC1
SCHEMBL548181 0.73 POLB (0.59) GABRA2GABRB2MAPTNPC1RAB9A
SCHEMBL28463471 0.72 GABRA2 (0.44) GABRA2GABRB2MARS1P2RX7CYP2C9
SCHEMBL27418787 0.72 P2RX1 (0.49) TMPRSS4P2RX1P2RX4P2RX7BIRC5
SCHEMBL549092 0.71 GABRA2 (0.53) GABRA2GABRB2MARS1MAPTNPC1
SCHEMBL548988 0.70 TP53 (0.44) MAPTALDH1A1CNR1TP53
SCHEMBL3959614 0.70 ALDH1A1 (0.49) TMPRSS4P2RX1P2RX4P2RX7MAPT
SCHEMBL1550851 0.70 GABRA2 (0.43) GABRA2GABRB2MARS1MAPTNPC1

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 10 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
EP-2185529-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NeuroSearch AS (DK) 2010-05-19 EP claimed
WO-2009019278-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2009-02-12 WO 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
EP-2185529-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NeuroSearch AS (DK) 2010-05-19 EP disclosed
WO-2009019278-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2009-02-12 WO 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 281/4885TMPRSS4 1543/4885

“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.