SCHEMBL29788

SCHEMBL29788

O=C(Nc1nc2ccc(O)cc2s1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.82
HSD17B2 P37059 4/20 0.82
DYRK1A Q13627 3/20 0.80
SCD O00767 5/20 0.76
LRRK2 Q5S007 1/20 0.74
NPC1 O15118 2/20 0.72
RAB9A P51151 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
MEN1 O00255 1/20 0.72
KMT2A Q03164 1/20 0.72
DYRK1B Q9Y463 1/20 0.70
SNCA P37840 1/20 0.67
TP53 P04637 1/20 0.65
MAPT P10636 1/20 0.65

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
SCHEMBL16554129 0.95 HSD17B1 (0.75) HSD17B1HSD17B2DYRK1ASCDLRRK2
SCHEMBL31024 0.92 HSD17B1 (0.82) HSD17B1HSD17B2DYRK1ASCDLRRK2
SCHEMBL31035 0.90 HSD17B1 (1.00) HSD17B1HSD17B2DYRK1ASCDLRRK2
SCHEMBL16554035 0.90 HSD17B1 (0.76) HSD17B1HSD17B2DYRK1ASCDLRRK2
SCHEMBL31006 0.87 HSD17B1 (1.00) HSD17B1HSD17B2DYRK1ASCDLRRK2
SCHEMBL19464560 0.86 HSD17B1 (0.74) HSD17B1HSD17B2DYRK1ASCDLRRK2
SCHEMBL13329360 0.86 HSD17B1 (0.74) HSD17B1HSD17B2DYRK1ASCDLRRK2
SCHEMBL12225869 0.86 HSD17B1 (0.74) HSD17B1HSD17B2DYRK1ASCDLRRK2
SCHEMBL12199347 0.86 HSD17B1 (0.76) HSD17B1HSD17B2DYRK1ASCDLRRK2
SCHEMBL12199323 0.86 HSD17B1 (0.76) HSD17B1HSD17B2DYRK1ASCDLRRK2

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
EP-2609089-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2013-07-03 EP claimed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO claimed
EP-2609089-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2013-07-03 EP disclosed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO disclosed
EP-2376463-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA Bayer Pharma Aktiengesellschaft (DE) 2011-10-19 EP disclosed
US-20110243846-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-06 US disclosed
WO-2010066357-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 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-20110243846-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA APP, APBA1, BACE1 HSD17B1 3226/4885HSD17B2 3825/4885DYRK1A 4687/4885

“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.