SCHEMBL17898576

SCHEMBL17898576

COc1ccc(C(=O)Oc2ccc3oc4ccccc4c3c2)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.55
LMNA P02545 4/20 0.54
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 9/20 0.49
MAPT P10636 6/20 0.49
NPSR1 Q6W5P4 3/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 6/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 2/20 0.46
HPGD P15428 1/20 0.44

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
SCHEMBL17898591 0.85 MAPT (0.55) KMT2ALMNATP53HTTALDH1A1
SCHEMBL17898596 0.85 MAPT (0.52) KMT2ALMNATP53HTTALDH1A1
SCHEMBL17902684 0.84 KMT2A (0.51) KMT2ALMNATP53HTTALDH1A1
SCHEMBL17898566 0.81 MAPT (0.53) KMT2ALMNATP53HTTALDH1A1
SCHEMBL17898575 0.79 ALOX5 (0.57) KMT2ALMNAHTTALDH1A1MAPT
SCHEMBL17902701 0.76 KMT2A (0.50) KMT2ALMNAALDH1A1MAPTNPSR1
SCHEMBL19077934 0.76 NPC1 (0.55) KMT2ALMNAALDH1A1MAPTKDM4E
SCHEMBL17902702 0.76 MAPT (0.59) KMT2ALMNAALDH1A1MAPTNPSR1
SCHEMBL17902686 0.74 KMT2A (0.53) KMT2ALMNAALDH1A1MAPTNPSR1
SCHEMBL11698736 0.73 KMT2A (0.58) KMT2ALMNAALDH1A1MAPTNPSR1

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-9795586-B2 HNF4-α antagonist and use thereof NATIONAL CANCER CENTER (KR) 2017-10-24 US disclosed
US-20170189371-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2017-07-06 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 (2 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-20170189371-A1 HNF4-alpha ANTAGONIST AND USE THEREOF HNF4A, TCF4, WNT3A KMT2A 1796/4885LMNA 4194/4885TP53 349/4885
US-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF HNF4A, TCF4, WNT3A KMT2A 1796/4885LMNA 4194/4885TP53 349/4885

“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.