SCHEMBL626204

SCHEMBL626204

O=c1ccn(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL33 O95760 2/20 0.46
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
APAF1 O14727 1/20 0.41
GAA P10253 1/20 0.41
PDE4B Q07343 1/20 0.41
BRAF P15056 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
INSR P06213 1/20 0.40
IGF1R P08069 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
SCHEMBL10118710 0.89 IL33 (0.47) IL33KMT2AKDM4EPKMNPSR1
SCHEMBL10118581 0.81 IL33 (0.44) IL33KMT2AKDM4EPKMNPSR1
SCHEMBL623595 0.81 MAPK1 (0.49) IL33KMT2AKDM4EPKMNPSR1
SCHEMBL623663 0.81 TP53 (0.45) KDM4EPKMMAPTALDH1A1MAPK1
SCHEMBL15315401 0.80 IL33 (0.49) IL33KMT2AKDM4EPKMNPSR1
SCHEMBL623099 0.80 IL33 (0.43) IL33KMT2AKDM4EPKMNPSR1
SCHEMBL10118715 0.80 IL33 (0.43) IL33KMT2AKDM4EPKMNPSR1
SCHEMBL623157 0.78 CYP11B1 (0.47) PKMMAPTALDH1A1GAATDP1
SCHEMBL28685578 0.78 LMNA (0.44) PKMALDH1A1L3MBTL1LMNAPOLB
SCHEMBL626820 0.78 IL33 (0.43) IL33KMT2AKDM4EPKMNPSR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598395-B2 Premature-termination-codons readthrough compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-21 US disclosed
US-9598395-B2 Premature-termination-codons readthrough compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-21 US disclosed
US-9255088-B2 Premature-termination-codons readthrough compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-09 US disclosed
US-9255088-B2 Premature-termination-codons readthrough compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-09 US disclosed
US-20150051251-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-19 US disclosed
US-20150051251-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-19 US disclosed
US-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-17 US disclosed
US-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-17 US disclosed
US-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-17 US disclosed
WO-2012021707-A2 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-16 WO 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 (2 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 4578/4885KMT2A 1956/4885KDM4E 2336/4885
US-20150051251-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS UPF1, NUDT21, RNGTT IL33 4578/4885KMT2A 1956/4885KDM4E 2336/4885

“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.