SCHEMBL3471303

SCHEMBL3471303

O=C(c1cccc([N+](=O)[O-])c1)n1cnc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
ALDH1A1 P00352 4/20 0.67
MEN1 O00255 2/20 0.67
HTT P42858 2/20 0.66
MAPT P10636 2/20 0.66
MITF O75030 1/20 0.66
LMNA P02545 1/20 0.66
XBP1 P17861 1/20 0.66
MDM2 Q00987 1/20 0.66
FGFR1 P11362 1/20 0.57
MGAM O43451 1/20 0.53
AMY1A P0DUB6 1/20 0.53
GAA P10253 1/20 0.53
SI P14410 1/20 0.53
MGAM2 Q2M2H8 1/20 0.53
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL18797751 0.79 L3MBTL1 (0.56) KMT2AALDH1A1MEN1HTTMAPT
SCHEMBL3471166 0.79 KMT2A (0.73) KMT2AALDH1A1MEN1HTTMAPT
SCHEMBL3477048 0.79 KMT2A (0.77) KMT2AALDH1A1MEN1HTTMAPT
SCHEMBL3473254 0.78 HTT (0.61) KMT2AALDH1A1MEN1HTTMAPT
SCHEMBL28581927 0.76 MAPT (0.65) KMT2AALDH1A1MEN1HTTMAPT
SCHEMBL11817210 0.73 ALDH1A1 (0.67) KMT2AALDH1A1MEN1HTTMAPT
SCHEMBL29449347 0.73 FGFR1 (1.00) ALDH1A1HTTMAPTMITFLMNA
SCHEMBL2308773 0.73 FGFR1 (1.00) ALDH1A1HTTMAPTMITFLMNA
SCHEMBL13844515 0.72 KMT2A (0.75) KMT2AALDH1A1MEN1HTTMAPT
SCHEMBL23122921 0.72 ALDH1A1 (0.57) KMT2AALDH1A1MEN1HTTMAPT

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 1141/4885ALDH1A1 810/4885MEN1 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.