SCHEMBL16737157

SCHEMBL16737157

O=C(O)c1cccc([N+](=O)[O-])c1Nc1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.69
KMT2A Q03164 7/20 0.69
KDM4E B2RXH2 4/20 0.54
ASPH Q12797 1/20 0.54
KDM8 Q8N371 1/20 0.54
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52
CDK2 P24941 1/20 0.52
ALDH1A1 P00352 4/20 0.50
GAA P10253 2/20 0.50
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.48
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL22720165 0.88 KDM4E (0.60) MEN1KMT2AKDM4EASPHKDM8
SCHEMBL7246987 0.86 MEN1 (0.52) MEN1KMT2AKDM4EASPHKDM8
SCHEMBL7247414 0.86 MEN1 (0.52) MEN1KMT2AKDM4EASPHKDM8
SCHEMBL16737122 0.84 CDK2 (0.49) MEN1KMT2AKDM4EASPHKDM8
SCHEMBL5888660 0.83 AKR1C3 (0.58) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL15255337 0.83 TSHR (0.56) MEN1KMT2AKDM4EASPHKDM8
SCHEMBL20475343 0.83 KDM4E (0.55) MEN1KMT2AKDM4EASPHKDM8
SCHEMBL11192184 0.83 LMNA (0.57) MEN1KMT2AKDM4EASPHKDM8
SCHEMBL16737124 0.83 MEN1 (0.48) MEN1KMT2AKDM4EASPHKDM8
SCHEMBL7245591 0.82 KDM4E (0.58) MEN1KMT2AKDM4EASPHKDM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834537-B2 Compounds as chloride channel blocking agent KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-12-05 US claimed
US-20150148550-A1 NOVEL COMPOUNDS AS CHLORIDE CHANNEL BLOCKING AGENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-05-28 US claimed
US-9834537-B2 Compounds as chloride channel blocking agent KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-12-05 US disclosed
US-20150148550-A1 NOVEL COMPOUNDS AS CHLORIDE CHANNEL BLOCKING AGENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-05-28 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-20150148550-A1 NOVEL COMPOUNDS AS CHLORIDE CHANNEL BLOCKING AGENT CACNB2, CACNB1, CACNB4 MEN1 2939/4885KMT2A 3898/4885KDM4E 3253/4885

“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.