SCHEMBL5727262

SCHEMBL5727262

O=C(c1cccc(Br)c1)c1ccc2[nH]c(=O)sc2c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
ESR1 P03372 1/20 0.46
PGR P06401 2/20 0.43
PARP1 P09874 1/20 0.42
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD11B1 P28845 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
KIF11 P52732 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL5727283 0.85 ESR1 (0.52) POLBESR1PGRPDE3BPDE3A
SCHEMBL5726426 0.83 PGR (0.61) MAOBESR1PGRPARP1PDE3B
SCHEMBL7257829 0.83 ESR1 (0.46) POLBESR1PGRPARP1PDE3B
SCHEMBL7256408 0.80 PDE3B (0.62) ESR1PARP1PDE3BPDE3ASMN1; SMN2
SCHEMBL9483946 0.79 HTT (0.48) POLBESR1PGRPDE3BPDE3A
SCHEMBL5727598 0.79 HSD11B1 (0.43) POLBESR1PGRPDE3BPDE3A
SCHEMBL9483385 0.78 PGR (0.51) ESR1PGRPDE3BPDE3ASMN1; SMN2
SCHEMBL9484144 0.78 MAP2K1 (0.48) ESR1PGRPDE3BPDE3AGAA
SCHEMBL9483355 0.78 CMA1 (0.54) ESR1PGRPDE3BPDE3AGAA
SCHEMBL9484422 0.78 ALDH1A1 (0.50) ESR1PGRPDE3BPDE3AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1502590-B1 Heterocyclic oxime derivatives, process for their preparation and use thereof in the treatment of type II diabetes SERVIER LAB (FR) 2006-12-20 EP disclosed
US-7071221-B2 Heterocyclic oxime compounds LES LABORATOIRES SERVIER (FR) 2006-07-04 US disclosed
US-20050026973-A1 New heterocyclic oxime compounds LES LABORATOIRES SERVIER (FR) 2005-02-03 US disclosed
EP-1502590-A1 Heterocyclic oxime derivatives, process for their preparation and use thereof in the treatment of type II diabetes Les Laboratoires Servier (FR) 2005-02-02 EP 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-20050026973-A1 New heterocyclic oxime compounds CBR3, CBR1, CYB5R3 POLB 874/4885MAOA 254/4885MAOB 60/4885

“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.