SCHEMBL549165

SCHEMBL549165

N#Cc1ccc(-c2nnn(-c3ccc(Cl)cc3Cl)c2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
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
POLB P06746 1/20 0.43
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 2/20 0.39

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
SCHEMBL548231 0.80 POLB (0.69) MEN1NPC1TP53RAB9AKMT2A
SCHEMBL549145 0.72 ALDH1A1 (0.43) MEN1NPC1TP53RAB9AKMT2A
SCHEMBL14144370 0.71 CNR1 (0.44) CNR2
SCHEMBL31324296 0.69 SMN1; SMN2 (0.52) MEN1NPC1TP53RAB9AKMT2A
SCHEMBL548988 0.69 TP53 (0.44) TP53POLBL3MBTL1
SCHEMBL10608500 0.69 KMT2A (0.49) MEN1KMT2APOLBL3MBTL1
SCHEMBL28463382 0.68 L3MBTL1 (0.60) MEN1NPC1KMT2APOLBL3MBTL1
SCHEMBL549152 0.68 GABRA2 (0.58) MEN1NPC1TP53RAB9AKMT2A
SCHEMBL548339 0.68 POLB (0.62) MEN1NPC1TP53RAB9AKMT2A
SCHEMBL10768639 0.67 LMNA (0.42) MEN1KMT2AL3MBTL1CNR2

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 3 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

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 MEN1 4048/4885NPC1 2998/4885TP53 4840/4885

“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.