SCHEMBL1467569

SCHEMBL1467569

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.53
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 2/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
RPS6KA2 Q15349 1/20 0.41
ENPP2 Q13822 2/20 0.40
TNF P01375 1/20 0.40

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
SCHEMBL1468611 0.85 NPC1 (0.46) PTGS2ALDH1A1POLBSMN1; SMN2RAB9A
SCHEMBL1468623 0.83 KMT2A (0.42) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL1468627 0.83 NPC1 (0.61) ALDH1A1POLBSMN1; SMN2RAB9AMAPT
SCHEMBL1468449 0.82 NPC1 (0.44) PTGS2ALDH1A1POLBSMN1; SMN2RAB9A
SCHEMBL839776 0.76 PTGS2 (0.83) PTGS2ALDH1A1POLBCYP1A2CYP2C19
SCHEMBL17199222 0.75 MIF (0.46) ALDH1A1RAB9AGAAMAPTNPC1
SCHEMBL1468613 0.74 CASP3 (0.45) ALDH1A1SMN1; SMN2GAACYP2C19MAPT
SCHEMBL549592 0.74 RAB9A (0.46) PTGS2SMN1; SMN2RAB9AGAACYP2C19
SCHEMBL3971667 0.73 PTGS2 (0.77) PTGS2ALDH1A1POLBCYP1A2CYP2C19
SCHEMBL830784 0.72 PTGS2 (0.75) PTGS2ALDH1A1POLBCYP1A2CYP2C19

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 PTGS2 2649/4885ALDH1A1 1601/4885POLB 1840/4885

“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.