SCHEMBL549126

SCHEMBL549126

COc1ccc(-c2nnn(-c3cc(C)on3)c2N)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
MAPT P10636 4/20 0.52
TP53 P04637 4/20 0.43
PTGS2 P35354 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 3/20 0.38
HSP90AA1 P07900 1/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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 0.71 POLB (0.69) POLBMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL548339 0.69 POLB (0.62) POLBMAPTTP53SMN1; SMN2RAB9A
SCHEMBL10016318 0.69 MAPT (1.00) POLBMAPTTP53SMN1; SMN2TSHR
SCHEMBL548302 0.68 POLB (0.69) POLBMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL549133 0.68 POLB (0.67) POLBMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL549116 0.68 POLB (0.54) POLBMAPTPTGS2KDM4EALDH1A1
SCHEMBL549105 0.68 POLB (0.54) POLBMAPTTP53PTGS2KDM4E
SCHEMBL6352561 0.67 RAB9A (0.61) POLBMAPTTP53PTGS2SMN1; SMN2
SCHEMBL548181 0.67 POLB (0.59) POLBMAPTTP53SMN1; SMN2KDM4E
SCHEMBL23405497 0.61 POLB (0.62) POLBMAPTTP53PTGS2SMN1; SMN2

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 POLB 4113/4885MAPT 700/4885TP53 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.