SCHEMBL2961832

SCHEMBL2961832

O=S(=O)(c1cccc2cccnc12)N1CCN(c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
GAA P10253 1/20 1.00
ALOX15 P16050 2/20 0.74
MAPT P10636 3/20 0.72
L3MBTL1 Q9Y468 1/20 0.70
FABP1 P07148 6/20 0.62
HTT P42858 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TSHR P16473 2/20 0.60
MAPK1 P28482 1/20 0.60
POLB P06746 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
GFER P55789 1/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL14919733 0.85 ALDH1A1 (0.73) ALDH1A1GAAALOX15MAPTL3MBTL1
SCHEMBL5422444 0.83 L3MBTL1 (0.76) ALDH1A1GAAALOX15MAPTL3MBTL1
SCHEMBL1618838 0.83 ALDH1A1 (0.70) ALDH1A1GAAALOX15MAPTL3MBTL1
SCHEMBL14183920 0.82 L3MBTL1 (0.71) ALDH1A1GAAALOX15MAPTL3MBTL1
SCHEMBL15462074 0.82 ALDH1A1 (0.69) ALDH1A1GAAALOX15MAPTL3MBTL1
SCHEMBL31684035 0.82 L3MBTL1 (0.74) ALDH1A1GAAALOX15MAPTL3MBTL1
SCHEMBL1384784 0.81 ALDH1A1 (0.68) ALDH1A1GAAALOX15MAPTL3MBTL1
SCHEMBL5242720 0.81 ALDH1A1 (0.67) ALDH1A1GAAALOX15MAPTL3MBTL1
SCHEMBL4745405 0.81 ALDH1A1 (0.67) ALDH1A1GAAALOX15MAPTL3MBTL1
SCHEMBL12656093 0.81 L3MBTL1 (0.72) ALDH1A1GAAALOX15MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP claimed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO claimed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 US claimed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP disclosed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO disclosed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 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 (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-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors HSD17B1, HSD17B3, HSD17B2 ALDH1A1 82/4885GAA 455/4885ALOX15 1104/4885

“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.