SCHEMBL1468627

SCHEMBL1468627

COc1ccc(N2Cc3ccc([N+](=O)[O-])cc3C2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
PKM P14618 1/20 0.61
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 2/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CRHBP P24387 1/20 0.45
GFER P55789 1/20 0.45
CRHR2 Q13324 1/20 0.45
ESR1 P03372 1/20 0.44
NR4A1 P22736 1/20 0.44
APEX1 P27695 1/20 0.44
PTPN7 P35236 1/20 0.44
RECQL P46063 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
SCHEMBL4251148 0.85 NPC1 (0.58) NPC1RAB9APKMMAPTSMN1; SMN2
SCHEMBL1467569 0.83 PTGS2 (0.53) NPC1RAB9APKMMAPTSMN1; SMN2
SCHEMBL17199222 0.83 MIF (0.46) NPC1RAB9APKMMAPTMEN1
SCHEMBL549592 0.82 RAB9A (0.46) NPC1RAB9APKMMAPTSMN1; SMN2
SCHEMBL1468548 0.81 NPC1 (0.68) NPC1RAB9APKMMAPTSMN1; SMN2
SCHEMBL31298890 0.81 ACHE (0.52) MAPTSMN1; SMN2MEN1KMT2ACRHBP
SCHEMBL17199301 0.80 RAB9A (0.42) NPC1RAB9APKMMAPTMEN1
SCHEMBL1468623 0.79 KMT2A (0.42) NPC1RAB9APKMMAPTSMN1; SMN2
SCHEMBL10086218 0.79 KMT2A (0.64) NPC1RAB9APKMMAPTSMN1; SMN2
SCHEMBL4397050 0.76 NPC1 (1.00) NPC1RAB9APKMSMN1; SMN2POLB

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-8722723-B2 Aromatic amide derivative RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 US disclosed
US-20110071304-A1 AROMATIC AMIDE DERIVATIVE RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-03-24 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-20110071304-A1 AROMATIC AMIDE DERIVATIVE NCOR2, NCOR1, EP300 NPC1 2827/4885RAB9A 1837/4885PKM 3633/4885

“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.