SCHEMBL626820

SCHEMBL626820

Nc1ccn(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c(=O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL33 O95760 2/20 0.43
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ PDE4B Q07343 3/20 0.42
▸ MAPT P10636 6/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ SLC9A1 P19634 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ PKM P14618 2/20 0.39

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
SCHEMBL15315395 0.82 IL33 (0.43) IL33GSK3AGSK3BPDE4BMAPT
SCHEMBL16491207 0.82 IL33 (0.41) IL33GSK3AGSK3BPDE4BMAPT
SCHEMBL626204 0.78 IL33 (0.46) IL33PDE4BMAPTSMN1; SMN2HPGD
SCHEMBL10118710 0.76 IL33 (0.47) IL33PDE4BMAPTSMN1; SMN2HPGD
SCHEMBL10118581 0.71 IL33 (0.44) IL33MAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL623595 0.71 MAPK1 (0.49) IL33PDE4BMAPTSMN1; SMN2HPGD
SCHEMBL18862278 0.71 MAPT (0.59) IL33PDE4BMAPTSMN1; SMN2HPGD
SCHEMBL16316318 0.70 ALDH1A1 (0.49) IL33PDE4BMAPTSMN1; SMN2HPGD
SCHEMBL623536 0.70 ALDH1A1 (0.52) PDE4BMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL622199 0.70 ALDH1A1 (0.49) IL33PDE4BMAPTSMN1; SMN2HPGD

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 7 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
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 4578/4885GSK3A 4773/4885GSK3B 4721/4885
US-20150051251-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS UPF1, NUDT21, RNGTT IL33 4578/4885GSK3A 4773/4885GSK3B 4721/4885

“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.

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