SCHEMBL3472014

SCHEMBL3472014

Cc1nc2ccccc2n1Cc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
RAB9A P51151 2/20 0.63
MEN1 O00255 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
GAA P10253 1/20 0.63
PITRM1 Q5JRX3 1/20 0.54
GSK3B P49841 2/20 0.53
NPC1 O15118 1/20 0.52
GALR3 O60755 1/20 0.52
NR2F2 P24468 1/20 0.52
NOX4 Q9NPH5 1/20 0.51
ALPL P05186 2/20 0.49
ALPG P10696 2/20 0.49
ALPP P05187 1/20 0.49
PLAA Q9Y263 1/20 0.49
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
TNF P01375 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL31441369 0.78 MEN1 (0.71) KMT2ARAB9AMEN1L3MBTL1GAA
SCHEMBL28987743 0.78 MEN1 (0.71) KMT2ARAB9AMEN1L3MBTL1GAA
SCHEMBL16756316 0.73 TNF (0.51) KMT2AMAPTTNFALDH1A1
SCHEMBL3964662 0.72 MEN1 (0.53) KMT2ARAB9AMEN1L3MBTL1GAA
SCHEMBL9694564 0.72 NOX4 (0.51) KMT2ARAB9AMEN1L3MBTL1GAA
SCHEMBL6231609 0.71 KMT2A (0.51) KMT2ARAB9AMEN1L3MBTL1GAA
SCHEMBL7261471 0.71 CYP1A2 (0.56) KMT2ARAB9AMEN1GAAPITRM1
SCHEMBL7408535 0.70 GALR3 (0.61) KMT2ARAB9AL3MBTL1GSK3BNPC1
SCHEMBL7653998 0.70 DCTPP1 (0.50) KMT2ARAB9AMEN1L3MBTL1GAA
SCHEMBL7970556 0.70 GALR3 (1.00) KMT2ARAB9AMEN1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317706-A1 HNF4alpha MODULATORS AND METHODS OF USE BUMHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-16 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-20100317706-A1 HNF4alpha MODULATORS AND METHODS OF USE HNF4A, NCOA4, NR4A3 KMT2A 1141/4885RAB9A 4607/4885MEN1 4481/4885

“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.