SCHEMBL358801

SCHEMBL358801

COc1ccc(Nc2c([N+](=O)[O-])cnc3ccc(Br)cc23)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
NCOA1 Q15788 1/20 0.59
NCOA3 Q9Y6Q9 1/20 0.59
ALDH1A1 P00352 4/20 0.56
MAPT P10636 4/20 0.56
HTT P42858 1/20 0.56
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPK1 P28482 3/20 0.45
GAA P10253 1/20 0.43
EGFR P00533 1/20 0.43
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SRC P12931 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
SCHEMBL29207216 0.85 GAA (0.47) NPC1ALDH1A1MAPTHTTMEN1
SCHEMBL30849463 0.85 GAA (0.47) NPC1ALDH1A1MAPTHTTMEN1
SCHEMBL358426 0.82 NPC1 (0.65) NPC1NCOA1NCOA3ALDH1A1MAPT
SCHEMBL2068067 0.80 MAPK1 (0.42) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL31439350 0.79 EGFR (0.46) EGFR
SCHEMBL2246971 0.78 ALDH1A1 (0.56) ALDH1A1MAPTHTTMAPK1HPGD
SCHEMBL358357 0.77 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2AEGFR
SCHEMBL31439340 0.76 MAPT (0.43) NPC1ALDH1A1MAPTHTTMEN1
SCHEMBL358516 0.76 NPC1 (0.66) NPC1NCOA1NCOA3ALDH1A1MAPT
SCHEMBL1585667 0.76 EGFR (0.43) ALDH1A1MAPTHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062046-B2 Substituted imidazoquinoline derivatives as kinase inhibitors Piramal Enterprises Limited (IN) 2015-06-23 US disclosed
EP-2593450-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES AS KINASE INHIBITORS Piramal Enterprises Limited (IN) 2013-05-22 EP disclosed
CN-103108873-A Substituted imidazoquinoline derivatives as kinase inhibitors PIRAMAL LIFE SCIENCES LTD 2013-05-15 CN disclosed
US-20130116248-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES AS KINASE INHIBITORS Piramal Enterprises Limited (IN) 2013-05-09 US disclosed
WO-2012007926-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES AS KINASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-01-19 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-20130116248-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES AS KINASE INHIBITORS CDK2, CDK4, MAP3K1 NPC1 3676/4885NCOA1 776/4885NCOA3 835/4885

“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.