SCHEMBL1337889

SCHEMBL1337889

COc1ccc2nc(C=O)ccc2c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
ALDH1A1 P00352 5/20 0.46
MAPT P10636 6/20 0.42
NPC1 O15118 3/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 3/20 0.42
GAA P10253 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1335613 0.81 ALDH1A1 (0.69) MEN1KMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL1335787 0.79 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL12132125 0.79 ALDH1A1 (0.39) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1336684 0.78 PRKDC (0.41) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1337699 0.78 ALDH1A1 (0.37) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL1336740 0.78 F2R (0.46) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL4763882 0.77 ALDH1A1 (0.43) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL16621590 0.77 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL12130362 0.76 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL28215127 0.76 TDP1 (0.56) MEN1KMT2AALDH1A1MAPTLMNA

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-20110275643-A1 AROYLQUINOLINE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-11-10 US disclosed
US-20110275643-A1 AROYLQUINOLINE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-11-10 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-20110275643-A1 AROYLQUINOLINE COMPOUNDS TUBA1C, TUBB1, TUBB3 MEN1 2570/4885KMT2A 1581/4885ALDH1A1 657/4885

“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.