SCHEMBL16737124

SCHEMBL16737124

O=C(O)c1cccc([N+](=O)[O-])c1Nc1c(Cl)ccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
CDK2 P24941 2/20 0.46
TNF P01375 1/20 0.46
NOD1 Q9Y239 1/20 0.46
POLB P06746 2/20 0.46
SLC25A1 P53007 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.44
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
RORC P51449 1/20 0.43
DNA2 P51530 1/20 0.43
CASP6 P55212 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ASPH Q12797 1/20 0.42
KDM8 Q8N371 1/20 0.42
GAA P10253 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
SCHEMBL16737157 0.83 MEN1 (0.69) MEN1KMT2ACDK2POLBALDH1A1
SCHEMBL16737122 0.82 CDK2 (0.49) MEN1KMT2ACDK2SLC25A1ALDH1A1
SCHEMBL11192184 0.79 LMNA (0.57) MEN1KMT2ASLC25A1ALDH1A1TSHR
SCHEMBL16737190 0.77 CTSV (0.60) MEN1KMT2ACDK2ALDH1A1TSHR
SCHEMBL16737200 0.77 RORC (0.55) MEN1KMT2ACDK2TNFNOD1
SCHEMBL11799867 0.77 CLCN2 (0.63) MEN1KMT2ANR4A1NR4A2
SCHEMBL16737172 0.77 POLB (0.67) MEN1KMT2ACDK2POLBALDH1A1
SCHEMBL2293244 0.76 CXCR2 (0.59) MEN1KMT2ACDK2POLBALDH1A1
SCHEMBL22720165 0.75 KDM4E (0.60) MEN1KMT2ACDK2POLBSLC25A1
SCHEMBL16737117 0.75 MAPT (0.51) MEN1KMT2ACDK2POLBALDH1A1

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 3898/4885CDK2 3255/4885

“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.