SCHEMBL548231

SCHEMBL548231

COc1ccc(-c2nnn(-c3ccc(Cl)cc3Cl)c2N)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.69
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
CNR1 P21554 2/20 0.46
CNR2 P34972 1/20 0.46
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.43
DPP4 P27487 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 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
SCHEMBL548339 0.88 POLB (0.62) POLBMEN1NPC1TP53RAB9A
SCHEMBL548181 0.84 POLB (0.59) POLBMEN1NPC1TP53RAB9A
SCHEMBL549133 0.83 POLB (0.67) POLBMEN1NPC1TP53RAB9A
SCHEMBL549165 0.80 MEN1 (0.49) POLBMEN1NPC1TP53RAB9A
SCHEMBL548988 0.80 TP53 (0.44) POLBTP53CNR1MAPTL3MBTL1
SCHEMBL548342 0.79 POLB (0.60) POLBMEN1NPC1TP53RAB9A
SCHEMBL6516191 0.78 POLB (0.54) POLBMEN1TP53KMT2ACNR2
SCHEMBL548302 0.77 POLB (0.69) POLBMEN1NPC1TP53RAB9A
SCHEMBL549116 0.73 POLB (0.54) POLBRAB9AMAPTGABRA2GABRB2
SCHEMBL549105 0.73 POLB (0.54) POLBNPC1TP53RAB9AMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4113/4885MEN1 4048/4885NPC1 2998/4885

“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.