SCHEMBL17898566

SCHEMBL17898566

O=C(Oc1ccc2oc3ccccc3c2c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
PKM P14618 1/20 0.53
MAPK1 P28482 2/20 0.51
HTT P42858 2/20 0.51
NR1H4 Q96RI1 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 4/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 2/20 0.49
HGFAC Q04756 1/20 0.48
ALOX5 P09917 2/20 0.48
TP53 P04637 1/20 0.47
RAB9A P51151 2/20 0.47
TYMS P04818 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL17898575 0.88 ALOX5 (0.57) MAPTKMT2AMEN1HTTTDP1
SCHEMBL17898591 0.83 MAPT (0.55) MAPTKMT2AMEN1MAPK1HTT
SCHEMBL17898596 0.83 MAPT (0.52) MAPTKMT2AMEN1MAPK1HTT
SCHEMBL17898569 0.83 MAPT (0.55) MAPTKMT2AMEN1PKMMAPK1
SCHEMBL17902702 0.82 MAPT (0.59) MAPTKMT2AALDH1A1GAALMNA
SCHEMBL19077934 0.82 NPC1 (0.55) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL1283713 0.82 MAPT (0.61) MAPTKMT2AMEN1MAPK1HTT
SCHEMBL17898576 0.81 KMT2A (0.55) MAPTKMT2AMEN1HTTTDP1
SCHEMBL29965394 0.81 PDGFRB (0.58) MAPTKMT2AMEN1PKMMAPK1
SCHEMBL25490125 0.80 MAPT (0.63) MAPTKMT2AMEN1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9795586-B2 HNF4-α antagonist and use thereof NATIONAL CANCER CENTER (KR) 2017-10-24 US disclosed
US-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2016-07-07 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-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF HNF4A, TCF4, WNT3A MAPT 4620/4885KMT2A 1796/4885MEN1 4787/4885

“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.