SCHEMBL2885212

SCHEMBL2885212

O=C(Nc1nnn[nH]1)c1ccccc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
CHRNB2 P17787 5/20 0.56
CHRNB4 P30926 5/20 0.56
CHRNA3 P32297 5/20 0.56
CHRNA4 P43681 5/20 0.56
HTT P42858 5/20 0.50
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
PPARG P37231 1/20 0.45
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL10792371 0.81 POLB (0.46) ALDH1A1HTTPOLBLMNAMAPT
SCHEMBL11105640 0.81 KDM4E (0.60) ALDH1A1HTTGAAPOLBTP53
SCHEMBL12892210 0.79 JAK2 (0.55) ALDH1A1POLBMAPTKMT2A
SCHEMBL2662445 0.79 ALPL (0.61) ALDH1A1HTTPOLBTP53L3MBTL1
SCHEMBL1250218 0.79 ALDH1A1 (0.50) ALDH1A1GAAPOLBL3MBTL1MAPT
SCHEMBL3788576 0.79 POLB (0.55) GAAPOLBLMNAKMT2A
SCHEMBL10790321 0.79 POLB (0.44) ALDH1A1HTTPOLBMAPTKMT2A
SCHEMBL11561215 0.79 ACMSD (0.50) POLBKMT2AKDM4E
SCHEMBL151398 0.79 NPC1 (0.50) HTTKMT2A
SCHEMBL11156635 0.78 CNR2 (0.52) POLB

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-20100286149-A1 NOVEL BENZAMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-11-11 US disclosed
EP-2212303-A1 NOVEL BENZAMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NeuroSearch AS (DK) 2010-08-04 EP disclosed
WO-2009068509-A1 NOVEL BENZAMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2009-06-04 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-20100286149-A1 NOVEL BENZAMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS KCNA2, KCNJ2, KCNB2 ALDH1A1 2385/4885CHRNB2 332/4885CHRNB4 330/4885

“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.