SCHEMBL3699430

SCHEMBL3699430

CCOC(=O)c1nc2c(C)cc(-c3ccco3)cn2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 7/20 0.44
PKM P14618 1/20 0.44
POLB P06746 6/20 0.44
HPGD P15428 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MCL1 Q07820 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
ADORA3 P0DMS8 7/20 0.42
ADORA2A P29274 7/20 0.42
ADORA1 P30542 7/20 0.42
ADORA2B P29275 4/20 0.42
KDM4E B2RXH2 4/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 2/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL3690164 0.87 ALDH1A1 (0.47) L3MBTL1ALDH1A1PKMPOLBHPGD
SCHEMBL1583743 0.76 CFTR (0.53) ALDH1A1PKMPOLBHPGDMEN1
SCHEMBL17595049 0.71 L3MBTL1 (0.59) L3MBTL1ALDH1A1PKMPOLBHPGD
SCHEMBL1583694 0.70 KDM4E (0.41) L3MBTL1ALDH1A1PKMPOLBHPGD
SCHEMBL3063932 0.70 ALDH1A1 (0.37) L3MBTL1ALDH1A1POLBHPGDADORA2B
SCHEMBL3803196 0.68 ALDH1A1 (0.46) L3MBTL1ALDH1A1PKMPOLBHPGD
SCHEMBL9219906 0.68 L3MBTL1 (0.55) L3MBTL1ALDH1A1PKMPOLBHPGD
SCHEMBL3699787 0.68 PKM (0.38) ALDH1A1PKMPOLBHPGDMEN1
SCHEMBL19194844 0.67 L3MBTL1 (0.54) L3MBTL1ALDH1A1PKMPOLBHPGD
SCHEMBL1583944 0.67 RXFP1 (0.41) L3MBTL1ALDH1A1PKMKMT2AMAPT

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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 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 (2 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 L3MBTL1 3542/4885ALDH1A1 1337/4885PKM 2286/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 L3MBTL1 3542/4885ALDH1A1 1337/4885PKM 2286/4885

“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.