SCHEMBL10318263

SCHEMBL10318263

COCCOc1cc(C=O)c([N+](=O)[O-])cc1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.75
MAPT P10636 6/20 0.75
KDM4E B2RXH2 3/20 0.75
CYP3A4 P08684 2/20 0.75
ALOX15 P16050 1/20 0.75
PRKDC P78527 1/20 0.75
HSD17B10 Q99714 1/20 0.75
HPGD P15428 3/20 0.52
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
CHEK1 O14757 1/20 0.43
FDPS P14324 1/20 0.43
ERN1 O75460 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 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
SCHEMBL10320082 1.00 ALDH1A1 (0.75) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL10320417 0.96 ALDH1A1 (0.69) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL10318213 0.96 ALDH1A1 (0.67) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL31539527 0.92 ALDH1A1 (0.75) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL28629055 0.90 ALDH1A1 (0.77) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL4313446 0.89 ALDH1A1 (0.66) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL4317144 0.88 ALDH1A1 (0.73) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL3332792 0.88 ALDH1A1 (0.73) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL14129360 0.88 ALDH1A1 (0.73) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL5251745 0.88 ALDH1A1 (0.73) ALDH1A1MAPTKDM4ECYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 US disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 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 (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-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES GOT1, PPARG, PPARA ALDH1A1 62/4885MAPT 2081/4885KDM4E 1393/4885

“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.