SCHEMBL4090533

SCHEMBL4090533

O=CNCc1cc(Br)cs1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH7 P40394 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
GSK3B P49841 1/20 0.32
CYP2A6 P11509 1/20 0.30
MGMT P16455 1/20 0.30

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
SCHEMBL2557376 0.73 SLC6A4 (0.37) ALDH1A1LMNASLC6A4SLC6A3CES2
SCHEMBL70198 0.72
SCHEMBL217981 0.72
SCHEMBL8504248 0.72 ALDH1A1 (0.36) ALDH1A1LMNATSHRHSD17B10SLC6A4
SCHEMBL15240887 0.71 LMNA (0.43) ALDH1A1LMNATSHRHSD17B10SLC6A4
SCHEMBL2526951 0.71 CA2 (0.42) ALDH1A1TSHRHSD17B10SLC6A4SLC6A3
SCHEMBL8239568 0.68 ALDH1A1 (0.38) ALDH1A1LMNATSHRHSD17B10CES2
SCHEMBL5391143 0.68 ADH1B (0.50) ADH1BADH1CADH1AADH7
SCHEMBL21493527 0.67 ALDH1A1 (0.51) ALDH1A1LMNATSHRHSD17B10SLC6A4
SCHEMBL27713470 0.67 TSHR (0.42) ALDH1A1LMNATSHRHSD17B10CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
EP-1861384-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2007-12-05 EP disclosed
EP-1814871-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-08-08 EP disclosed
WO-2006100502-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS STERIX LIMITED (GB) 2006-09-28 WO disclosed
WO-2006053791-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-05-26 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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 ADH1B 127/4885ADH1C 290/4885ADH1A 227/4885

“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.