SCHEMBL4152617

SCHEMBL4152617

CCOC(=O)Cc1c(Br)csc1O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
LMNA P02545 3/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 3/20 0.38
TRPA1 O75762 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4138437 0.76 KMT2A (0.38) KMT2AMEN1LMNATSHRSMN1; SMN2
SCHEMBL4697289 0.74 AKR1B1 (0.36) LMNATSHRGAAALDH1A1HPGD
SCHEMBL19474972 0.74 L3MBTL1 (0.46) KMT2AMEN1LMNATSHRSMN1; SMN2
SCHEMBL7960171 0.73 NPSR1 (0.46) KMT2AMEN1LMNATSHRSMN1; SMN2
SCHEMBL25664507 0.73 GAA (0.57) KMT2ALMNASMN1; SMN2GAAALDH1A1
SCHEMBL29122418 0.72 CA12 (0.50) KMT2AMEN1LMNATSHRSMN1; SMN2
SCHEMBL4155671 0.71 SMN1; SMN2 (0.39) KMT2AMEN1LMNATSHRSMN1; SMN2
SCHEMBL7958215 0.71 SMN1; SMN2 (0.46) KMT2AMEN1LMNATSHRSMN1; SMN2
SCHEMBL18430373 0.71 KDM4E (0.45) KMT2AMEN1LMNATSHRSMN1; SMN2
SCHEMBL1525238 0.70 MEN1 (0.66) KMT2AMEN1LMNATSHRSMN1; SMN2

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-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2009-01-15 US disclosed
US-7439253-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors NOVEXEL (FR) 2008-10-21 US disclosed
US-20040157826-A1 Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors AVENTIS PHARMA S.A. (FR) 2004-08-12 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-20040157826-A1 Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors GAA, ALPI, GANAB KMT2A 2499/4885MEN1 588/4885LMNA 641/4885
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS GAA, GANAB, ALPI KMT2A 2492/4885MEN1 711/4885LMNA 529/4885

“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.