SCHEMBL4243967

SCHEMBL4243967

N#Cc1ccc([N+](=O)[O-])c(NCCC2CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 2/20 0.51
▸ MAPT P10636 8/20 0.46
▸ PKM P14618 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ VCAM1 P19320 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ RAB9A P51151 1/20 0.41
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MERTK Q12866 1/20 0.39
▸ HTR6 P50406 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL4241430 0.94 KAT2B (0.48) KAT2BMAPTPKMLMNAVCAM1
SCHEMBL7371227 0.81 RAB9A (0.61) KAT2BMAPTPKMLMNAVCAM1
SCHEMBL4245982 0.81 KAT2B (0.52) KAT2BMAPTPKMLMNAVCAM1
SCHEMBL762635 0.79 KAT2B (0.60) KAT2BMAPTPKMLMNAVCAM1
SCHEMBL20337732 0.79 KAT2B (0.49) KAT2BMAPTPKMLMNAVCAM1
SCHEMBL29525978 0.78 MAPT (0.53) KAT2BMAPTPKMLMNAVCAM1
SCHEMBL6182039 0.78 MAPT (0.53) KAT2BMAPTPKMLMNAVCAM1
SCHEMBL20571599 0.78 LMNA (0.63) KAT2BMAPTPKMLMNAVCAM1
SCHEMBL8246358 0.78 KAT2B (0.58) KAT2BMAPTPKMLMNAVCAM1
SCHEMBL29737974 0.78 LMNA (0.63) KAT2BMAPTPKMLMNAVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 — — US disclosed
EP-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 — — EP disclosed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 — — 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 (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-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA KAT2B 2877/4885MAPT 2228/4885PKM 539/4885

“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.

Send feedback