SCHEMBL1468623

SCHEMBL1468623

COC(=O)CCc1ccc(N2Cc3ccc([N+](=O)[O-])cc3C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MAPT P10636 6/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TNF P01375 1/20 0.40
CASP3 P42574 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 1/20 0.39
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL1470244 0.85 KDM4E (0.43) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL1468613 0.84 CASP3 (0.45) KMT2AMAPTALDH1A1SMN1; SMN2CASP3
SCHEMBL1467569 0.83 PTGS2 (0.53) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL1468187 0.82 PARP1 (0.40) KMT2AALDH1A1MEN1SMN1; SMN2NPC1
SCHEMBL1468627 0.79 NPC1 (0.61) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL9409574 0.77 PARP1 (0.43) NPC1RAB9APKM
SCHEMBL1350027 0.76 MAPT (0.57) KMT2AMAPTALDH1A1MEN1RAB9A
SCHEMBL1468434 0.76 CASP3 (0.45) KMT2AMAPTALDH1A1SMN1; SMN2TNF
SCHEMBL17199222 0.75 MIF (0.46) KMT2AMAPTALDH1A1MEN1CASP3
SCHEMBL549592 0.74 RAB9A (0.46) KMT2AMAPTMEN1SMN1; SMN2CASP3

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 KMT2A 253/4885MAPT 3909/4885ALDH1A1 1601/4885

“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.