SCHEMBL1335787

SCHEMBL1335787

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 4/20 0.48
MERTK Q12866 1/20 0.43
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
MAPT P10636 2/20 0.41
BLM P54132 1/20 0.41
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38

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 0.83 ALDH1A1 (0.69) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL1225526 0.81 ALDH1A1 (0.71) MEN1KMT2AALDH1A1MERTKKDM4E
SCHEMBL1337889 0.79 MEN1 (0.49) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL28215127 0.78 TDP1 (0.56) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL16621590 0.76 ALDH1A1 (0.46) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL1336754 0.75 TDO2 (0.45) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL12130375 0.75 GRIN2D (0.44) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL24476816 0.74 TDO2 (0.39) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL1134024 0.74 CYP19A1 (0.40) ALDH1A1POLBMAPTAMY1A
SCHEMBL1337810 0.74 MEN1 (0.65) MEN1KMT2AALDH1A1KDM4ETDP1

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.