SCHEMBL549105

SCHEMBL549105

COc1ccc(-c2nnn(-c3ccc(C(F)(F)F)cc3F)c2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
PTGS2 P35354 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41

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
SCHEMBL549116 0.91 POLB (0.54) POLBPTGS2GABRA2GABRB2RAB9A
SCHEMBL1550424 0.88 RAB9A (0.53) POLBPTGS2RAB9AL3MBTL1MAPT
SCHEMBL549131 0.88 GABRA2 (0.45) POLBPTGS2GABRA2GABRB2RAB9A
SCHEMBL548181 0.87 POLB (0.59) POLBGABRA2GABRB2RAB9AL3MBTL1
SCHEMBL548238 0.87 GABRA2 (0.49) POLBGABRA2GABRB2RAB9AMAPT
SCHEMBL548243 0.84 GABRA2 (0.47) POLBGABRA2GABRB2RAB9AMAPT
SCHEMBL549092 0.84 GABRA2 (0.53) POLBGABRA2GABRB2RAB9AL3MBTL1
SCHEMBL2258147 0.84 IDO1 (0.42) POLBPTGS2GABRA2GABRB2RAB9A
SCHEMBL548171 0.81 POLB (0.47) POLBPTGS2RAB9AL3MBTL1MAPT
SCHEMBL549151 0.79 NOTUM (0.46) GABRA2GABRB2RAB9AMAPTLMNA

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 6 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
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 POLB 4113/4885PTGS2 1296/4885GABRA2 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.