SCHEMBL17434397

SCHEMBL17434397

O=C1Nc2ccc([N+](=O)[O-])cc2OC1Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.67
MEN1 O00255 6/20 0.67
ALDH1A1 P00352 6/20 0.61
MAPT P10636 4/20 0.61
GAA P10253 1/20 0.58
BRD4 O60885 1/20 0.54
MAPK1 P28482 2/20 0.48
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSD17B10 Q99714 3/20 0.42
PGR P06401 1/20 0.42
ALOX15 P16050 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
XIAP P98170 1/20 0.40
BIRC2 Q13490 1/20 0.40
MMP2 P08253 1/20 0.40
ALPL P05186 1/20 0.40
HSP90AA1 P07900 1/20 0.40
TLR9 Q9NR96 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
SCHEMBL9826121 0.91 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL5518583 0.82 KMT2A (0.65) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL17434273 0.81 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL17434276 0.81 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL31444651 0.80 KMT2A (0.60) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL31444783 0.80 KMT2A (0.60) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL5670687 0.80 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL7476036 0.80 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL30806329 0.79 KMT2A (0.61) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL30943180 0.78 KMT2A (0.53) KMT2AMEN1ALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-05 US disclosed
US-20160229814-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-11 US disclosed
EP-2975031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-01-20 EP 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-20160229814-A1 HETEROCYCLIC COMPOUND RORB, RORC, RORA KMT2A 234/4885MEN1 2706/4885ALDH1A1 312/4885

“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.