SCHEMBL15315401

SCHEMBL15315401

COc1cn(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c(=O)[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL33 O95760 2/20 0.49
ALDH1A1 P00352 7/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 6/20 0.43
MAPK1 P28482 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
APAF1 O14727 1/20 0.43
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 3/20 0.42
PKM P14618 2/20 0.42
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
PDE4B Q07343 2/20 0.38
SLC9A1 P19634 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
SCHEMBL623595 0.88 MAPK1 (0.49) IL33ALDH1A1NPC1RAB9AMAPT
SCHEMBL10118581 0.85 IL33 (0.44) IL33ALDH1A1NPC1RAB9AMAPT
SCHEMBL623099 0.84 IL33 (0.43) IL33ALDH1A1NPC1RAB9AMAPT
SCHEMBL626204 0.80 IL33 (0.46) IL33ALDH1A1NPC1RAB9AMAPT
SCHEMBL10118715 0.80 IL33 (0.43) IL33ALDH1A1NPC1RAB9AMAPT
SCHEMBL10118710 0.78 IL33 (0.47) IL33ALDH1A1NPC1RAB9AMAPT
SCHEMBL15312859 0.75 CDK2 (0.61) IL33ALDH1A1MAPTKMT2AMEN1
SCHEMBL15312858 0.75 CDK2 (0.61) IL33ALDH1A1MAPTKMT2AMEN1
SCHEMBL15315395 0.71 IL33 (0.43) IL33ALDH1A1NPC1RAB9AMAPT
SCHEMBL16316318 0.71 ALDH1A1 (0.49) IL33ALDH1A1NPC1RAB9AMAPT

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-9255088-B2 Premature-termination-codons readthrough compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-09 US disclosed
US-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-17 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-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS UPF1, NUDT21, RNGTT IL33 4578/4885ALDH1A1 4427/4885NPC1 2891/4885

“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.