SCHEMBL118089

SCHEMBL118089

Cc1c(OCCOC2CCCCO2)ccc2nc(C(=O)O)cn12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4C Q9H3R0 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TGFBR1 P36897 1/20 0.36
CREBBP Q92793 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EP300 Q09472 1/20 0.33
PLK1 P53350 1/20 0.33
P2RX3 P56373 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PDE4B Q07343 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL116590 0.90 GAA (0.43) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL118584 0.79 MEN1 (0.54) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL8303231 0.73 MEN1 (0.51) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL117433 0.72 KMT2A (0.46) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL8297007 0.71 MEN1 (0.54) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL15573944 0.71 MEN1 (0.60) MEN1KMT2ANPC1RAB9ACREBBP
SCHEMBL871773 0.70 KMT2A (0.55) MEN1KMT2AKDM4CCREBBPL3MBTL1
SCHEMBL3628721 0.70 KDM4E (0.51) L3MBTL1
SCHEMBL4988791 0.70 NPC1 (0.44) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL29921108 0.70 MEN1 (0.61) MEN1KMT2AKDM4CNPC1RAB9A

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-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-04-26 US disclosed
EP-2424866-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS -SECRETASE INHIBITORS High Point Pharmaceuticals, LLC (US) 2012-03-07 EP disclosed
WO-2010126745-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS β-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-11-04 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-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP MEN1 2911/4885KMT2A 3367/4885KDM4C 2948/4885

“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.