SCHEMBL17898569

SCHEMBL17898569

O=C(Oc1ccc2oc3ccccc3c2c1)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
NR1H4 Q96RI1 1/20 0.55
POLB P06746 3/20 0.46
NPC1 O15118 2/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 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
SCHEMBL17898566 0.83 MAPT (0.53) MAPTKMT2AMEN1NR1H4PKM
SCHEMBL17902689 0.82 MAPT (0.50) MAPTNR1H4NPC1PKMRAB9A
SCHEMBL17898575 0.81 ALOX5 (0.57) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL7086047 0.80 MAPT (0.73) MAPTKMT2AMEN1NR1H4POLB
SCHEMBL17898596 0.78 MAPT (0.52) MAPTKMT2AMEN1POLBNPC1
SCHEMBL2340821 0.75 MAPT (0.81) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL1283713 0.75 MAPT (0.61) MAPTKMT2AMEN1POLBNPC1
SCHEMBL25490125 0.73 MAPT (0.63) MAPTKMT2AMEN1POLBNPC1
SCHEMBL17898591 0.72 MAPT (0.55) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL17898571 0.72 LMNA (0.44) MAPTKMT2AMEN1NPC1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.