SCHEMBL17898575

SCHEMBL17898575

O=C(Oc1ccc2oc3ccccc3c2c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
EPHX2 P34913 1/20 0.53
MAPT P10636 7/20 0.51
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 3/20 0.50
GAA P10253 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
KDM4E B2RXH2 4/20 0.47
F2 P00734 1/20 0.47
PTGES O14684 1/20 0.46
LMNA P02545 3/20 0.46
ALOX12 P18054 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HSP90AA1 P07900 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL17898566 0.88 MAPT (0.53) ALOX5MEN1KMT2ANPSR1MAPT
SCHEMBL17898591 0.81 MAPT (0.55) MEN1KMT2ANPSR1MAPTALDH1A1
SCHEMBL17898596 0.81 MAPT (0.52) ALOX5MEN1KMT2ANPSR1MAPT
SCHEMBL17898569 0.81 MAPT (0.55) MEN1KMT2ANPSR1MAPTALDH1A1
SCHEMBL17902686 0.81 KMT2A (0.53) MEN1KMT2ANPSR1MAPTALDH1A1
SCHEMBL9448725 0.79 ALOX5 (0.65) ALOX5MEN1KMT2ANPSR1MAPT
SCHEMBL17898576 0.79 KMT2A (0.55) MEN1KMT2ANPSR1MAPTALDH1A1
SCHEMBL8566918 0.78 ALOX5 (0.77) ALOX5MEN1KMT2ANPSR1MAPT
SCHEMBL9680694 0.77 ALDH1A1 (0.55) ALOX5MEN1KMT2ANPSR1EPHX2
SCHEMBL17902701 0.76 KMT2A (0.50) MEN1KMT2ANPSR1MAPTALDH1A1

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 ALOX5 3124/4885MEN1 4787/4885KMT2A 1796/4885

“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.