SCHEMBL623099

SCHEMBL623099

O=Cc1cn(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c(=O)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL33 O95760 2/20 0.43
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 3/20 0.41
PKM P14618 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
BRAF P15056 1/20 0.40
INSR P06213 1/20 0.39
IGF1R P08069 1/20 0.39
MEN1 O00255 4/20 0.39
MAPT P10636 5/20 0.39
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
HPGD P15428 2/20 0.39
CDK2 P24941 1/20 0.38
HTRA2 O43464 1/20 0.38
MAPK1 P28482 3/20 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 0.85 MAPK1 (0.49) IL33KMT2AKDM4EPKMNPSR1
SCHEMBL10118581 0.85 IL33 (0.44) IL33KMT2AKDM4EPKMNPSR1
SCHEMBL15315401 0.84 IL33 (0.49) IL33KMT2AKDM4EPKMNPSR1
SCHEMBL15312859 0.82 CDK2 (0.61) IL33KMT2AKDM4EPKMNPSR1
SCHEMBL15312858 0.82 CDK2 (0.61) IL33KMT2AKDM4EPKMNPSR1
SCHEMBL626204 0.80 IL33 (0.46) IL33KMT2AKDM4EPKMNPSR1
SCHEMBL10118715 0.80 IL33 (0.43) IL33KMT2AKDM4EPKMNPSR1
SCHEMBL10118710 0.78 IL33 (0.47) IL33KMT2AKDM4EPKMNPSR1
SCHEMBL17589737 0.71 KMT2A (0.43) IL33KMT2AKDM4EPKMNPSR1
SCHEMBL626820 0.69 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 9 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-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
WO-2012021707-A2 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-16 WO 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.