SCHEMBL17434178

SCHEMBL17434178

O=C1Nc2ccc([N+](=O)[O-])cc2OC1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.53
MEN1 O00255 6/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPT P10636 5/20 0.53
BRD4 O60885 1/20 0.52
CREBBP Q92793 1/20 0.52
GAA P10253 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA2 P00918 1/20 0.49
KDM4E B2RXH2 1/20 0.43
ALPL P05186 1/20 0.42
SNCA P37840 1/20 0.42
MAPK1 P28482 1/20 0.41
PGR P06401 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL30943180 1.00 KMT2A (0.53) KMT2AMEN1ALDH1A1MAPTBRD4
SCHEMBL30991578 0.79 BRD4 (0.55) MAPTBRD4CREBBPPOLBCA2
SCHEMBL2363289 0.79 BRD4 (0.61) ALDH1A1BRD4CREBBPALOX15HSD17B10
SCHEMBL30943193 0.79 BRD4 (0.55) MAPTBRD4CREBBPPOLBCA2
SCHEMBL4970806 0.79 BRD4 (0.55) KMT2AMEN1ALDH1A1BRD4CREBBP
SCHEMBL30991575 0.79 BRD4 (0.55) BRD4CREBBPCA2PGRGSK3B
SCHEMBL17434397 0.78 KMT2A (0.67) KMT2AMEN1ALDH1A1MAPTBRD4
SCHEMBL30152286 0.78 BRD4 (0.48) KMT2AMEN1ALDH1A1MAPTBRD4
SCHEMBL5670399 0.78 CA2 (0.62) KMT2AALDH1A1BRD4CREBBPGAA
SCHEMBL3378813 0.77 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1MAPTCYP1A2

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.