SCHEMBL6516191

SCHEMBL6516191

COc1ccc(-c2nnn(Cc3ccc(Cl)cc3Cl)c2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
MAPT P10636 4/20 0.50
CNR2 P34972 1/20 0.45
SLC9A1 P19634 1/20 0.45
NLRP3 Q96P20 1/20 0.45
TP53 P04637 1/20 0.44
DPP4 P27487 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 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
SCHEMBL6525915 0.84 SLC9A1 (0.48) POLBMAPTSLC9A1TP53MEN1
SCHEMBL6521129 0.80 CXCR2 (0.49) POLBMAPTDPP4MEN1KMT2A
SCHEMBL548231 0.78 POLB (0.69) POLBMAPTCNR2TP53DPP4
SCHEMBL3936996 0.75 CXCR2 (0.42) POLBMAPTCNR2NLRP3DPP4
SCHEMBL3945937 0.75 HTT (0.52) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL3939564 0.71 HTT (0.48) POLBMAPTDPP4MEN1KMT2A
SCHEMBL549133 0.70 POLB (0.67) POLBMAPTTP53DPP4MEN1
SCHEMBL26914701 0.69 MCHR1 (0.51) POLBMEN1KMT2AALOX15L3MBTL1
SCHEMBL395149 0.68 HTT (0.47) POLBMAPTNLRP3TP53MEN1
SCHEMBL548342 0.68 POLB (0.60) POLBMAPTCNR2TP53DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110060017-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-03-10 US claimed
US-20110060017-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-03-10 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-20110060017-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA3, CHRNA5, CHRNB3 POLB 3940/4885MAPT 752/4885CNR2 23/4885

“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.