SCHEMBL3473254

SCHEMBL3473254

Cc1nc2ccccc2n1C(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
HPGD P15428 1/20 0.57
IRAK4 Q9NWZ3 9/20 0.56
CTSD P07339 1/20 0.55
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MGAM O43451 1/20 0.51
AMY1A P0DUB6 1/20 0.51
GAA P10253 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
IRAK1 P51617 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL3472180 0.80 HPGD (0.66) HTTHPGDALDH1A1GAAMEN1
SCHEMBL3471303 0.78 KMT2A (0.67) HTTHPGDIRAK4CTSDALDH1A1
SCHEMBL11013338 0.72 ELANE (0.65) HTTMEN1KMT2ALMNA
SCHEMBL25956612 0.72 IRAK4 (1.00) IRAK4ALDH1A1IRAK1KMT2A
SCHEMBL2629217 0.71 F2 (0.58) ALDH1A1MGAMAMY1AGAASI
SCHEMBL22540485 0.71 KMT2A (0.66) HTTHPGDALDH1A1MEN1KMT2A
SCHEMBL15426094 0.71 HPGD (0.60) HPGDALDH1A1GAAKMT2A
SCHEMBL27712404 0.71 ELANE (0.76) MEN1KMT2ALMNA
SCHEMBL3472693 0.71 ALDH3A1 (0.62) HTTHPGDALDH1A1L3MBTL1GAA
SCHEMBL8921250 0.69 MAPT (0.53) IRAK4ALDH1A1L3MBTL1GAALMNA

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 HTT 2121/4885HPGD 1711/4885IRAK4 1250/4885

“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.