SCHEMBL13586997

SCHEMBL13586997

O=C(O)CCCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC1=S

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 5/20 0.65
CREBBP Q92793 4/20 0.65
KAT2A Q92830 4/20 0.65
EP300 Q09472 3/20 0.65
APEX1 P27695 3/20 0.64
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
CTDSP1 Q9GZU7 3/20 0.61
DUSP3 P51452 2/20 0.57
PTPN7 P35236 1/20 0.57
CACNA1B Q00975 1/20 0.57
APBA1 Q02410 1/20 0.57
PTPN12 Q05209 1/20 0.57
PTPN22 Q9Y2R2 1/20 0.57
MAPT P10636 2/20 0.55
MCL1 Q07820 1/20 0.55
NLRP3 Q96P20 1/20 0.54
ALDH1A1 P00352 2/20 0.50
ALDH2 P05091 1/20 0.50
ALDH3A1 P30838 1/20 0.50

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
SCHEMBL17244078 0.89 KAT2B (0.76) KAT2BCREBBPKAT2AEP300APEX1
SCHEMBL4797604 0.85 MEN1 (0.68) KAT2BCREBBPKAT2AEP300MEN1
SCHEMBL14252589 0.85 MEN1 (0.68) KAT2BCREBBPKAT2AEP300MEN1
SCHEMBL4797610 0.85 MEN1 (0.68) KAT2BCREBBPKAT2AEP300MEN1
SCHEMBL17830703 0.84 MEN1 (0.70) KAT2BCREBBPKAT2AEP300APEX1
SCHEMBL17830707 0.81 APEX1 (0.61) KAT2BCREBBPKAT2AEP300APEX1
SCHEMBL13362124 0.79 PIM1 (0.64) KAT2BCREBBPKAT2AEP300APEX1
SCHEMBL13362135 0.77 APEX1 (0.52) KAT2BCREBBPKAT2AEP300APEX1
SCHEMBL31284034 0.75 APEX1 (0.92) KAT2BCREBBPKAT2AEP300APEX1
SCHEMBL12934213 0.74 MEN1 (0.68) KAT2BCREBBPKAT2AEP300APEX1

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-8759384-B2 Oxo-imidazolyl compounds ASTEXPHRMACEUTICALS, INC. 2014-06-24 US disclosed
US-8759384-B2 Oxo-imidazolyl compounds ASTEXPHRMACEUTICALS, INC. 2014-06-24 US disclosed
US-20140073639-A1 INHIBITION OF ANTIMICROBIAL TARGETS WITH REDUCED POTENTIAL FOR RESISTANCE THE ROCKEFELLER UNIVERSITY (US) 2014-03-13 US disclosed
US-20140073639-A1 INHIBITION OF ANTIMICROBIAL TARGETS WITH REDUCED POTENTIAL FOR RESISTANCE THE ROCKEFELLER UNIVERSITY (US) 2014-03-13 US disclosed
WO-2014026009-A2 INHIBITION OF ANTIMICROBIAL TARGETS WITH REDUCED POTENTIAL FOR RESISTANCE AVACYN PHARMACEUTICALS, INC. (US) 2014-02-13 WO disclosed
US-20090298900-A1 Oxo-Imidazolyl Compounds ASTEXPHRMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090298900-A1 Oxo-Imidazolyl Compounds ASTEXPHRMACEUTICALS, INC. 2009-12-03 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 (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-20090298900-A1 Oxo-Imidazolyl Compounds GALE, CYP51A1, GNE KAT2B 2541/4885CREBBP 1540/4885KAT2A 1283/4885
US-20140073639-A1 INHIBITION OF ANTIMICROBIAL TARGETS WITH REDUCED POTENTIAL FOR RESISTANCE GALE, ENGASE, MGAM KAT2B 4209/4885CREBBP 532/4885KAT2A 2049/4885

“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.