SCHEMBL4895178

SCHEMBL4895178

COc1ccc(N)c(-c2ccco2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 5/20 0.51
POLB P06746 4/20 0.51
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 3/20 0.51
RAB9A P51151 3/20 0.51
HPGD P15428 3/20 0.51
MEN1 O00255 3/20 0.51
HTT P42858 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
THRB P10828 2/20 0.51
ALOX12 P18054 1/20 0.51
PTPN7 P35236 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
MCL1 Q07820 1/20 0.51
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47

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
SCHEMBL4900379 0.83 ALDH1A1 (0.48) ALDH1A1MAPTPOLBKMT2AKDM4E
SCHEMBL21241033 0.81 KDM4E (0.53) ALDH1A1MAPTPOLBKMT2AKDM4E
SCHEMBL15517371 0.80 MEN1 (0.62) ALDH1A1MAPTPOLBKMT2AKDM4E
SCHEMBL19199419 0.79 ADORA2A (0.49) ALDH1A1MAPTPOLBKMT2AKDM4E
SCHEMBL3685709 0.78 CYP3A4 (0.54) ALDH1A1MAPTPOLBKMT2AKDM4E
SCHEMBL11004268 0.78 ALDH1A1 (0.61) ALDH1A1MAPTKMT2AKDM4ERAB9A
SCHEMBL30206740 0.78 ALDH1A1 (0.61) ALDH1A1MAPTKMT2AKDM4ERAB9A
SCHEMBL30206743 0.78 ALDH1A1 (0.61) ALDH1A1MAPTKMT2AKDM4ERAB9A
SCHEMBL7807450 0.77 TAAR1 (0.53) ALDH1A1MAPTPOLBKMT2AKDM4E
SCHEMBL21783928 0.77 KDM4E (0.51) ALDH1A1MAPTPOLBKMT2AKDM4E

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-20080132551-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2008-06-05 US disclosed
EP-1611128-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR Pharmacia & Upjohn Company LLC (US) 2006-01-04 EP disclosed
WO-2004085433-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY LLC (US) 2004-10-07 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-20080132551-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNA7, CHRNA5 ALDH1A1 2361/4885MAPT 1408/4885POLB 2921/4885

“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.