SCHEMBL13587016

SCHEMBL13587016

O=C1NC(=O)C(=Cc2ccc(Br)s2)C(=O)N1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.76
▸ KMT2A Q03164 7/20 0.76
▸ ALPL P05186 1/20 0.76
▸ HSP90AA1 P07900 1/20 0.76
▸ ALPI P09923 1/20 0.76
▸ ALPG P10696 1/20 0.76
▸ G6PD P11413 1/20 0.76
▸ POLB P06746 3/20 0.60
▸ PKM P14618 2/20 0.53
▸ TNFRSF1A P19438 1/20 0.49
▸ MAPT P10636 4/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ PRF1 P14222 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL6571064 0.86 MEN1 (1.00) MEN1KMT2AALPLHSP90AA1ALPI
SCHEMBL6000993 0.78 EGFR (0.65) MEN1KMT2AALPLHSP90AA1ALPI
SCHEMBL14448899 0.78 EGFR (0.65) MEN1KMT2AALPLHSP90AA1ALPI
SCHEMBL11908582 0.75 EGFR (0.66) MEN1KMT2AALPLHSP90AA1ALPI
SCHEMBL7136014 0.75 KMT2A (0.56) MEN1KMT2AALPLHSP90AA1ALPI
SCHEMBL7138707 0.74 MEN1 (0.58) MEN1KMT2AALPLHSP90AA1ALPI
SCHEMBL5357849 0.74 MEN1 (0.55) MEN1KMT2AALPLHSP90AA1ALPI
SCHEMBL13848487 0.73 KMT2A (0.68) MEN1KMT2AALPLHSP90AA1ALPI
SCHEMBL7135755 0.73 KMT2A (0.53) MEN1KMT2AALPLHSP90AA1ALPI
SCHEMBL14304676 0.73 ITGA4 (0.61) MEN1KMT2AALPLHSP90AA1ALPI

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 MEN1 2988/4885KMT2A 2066/4885ALPL 58/4885
US-20140073639-A1 INHIBITION OF ANTIMICROBIAL TARGETS WITH REDUCED POTENTIAL FOR RESISTANCE GALE, ENGASE, MGAM MEN1 4627/4885KMT2A 2869/4885ALPL 717/4885

“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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