SCHEMBL2963306

SCHEMBL2963306

O=S(=O)(c1ccccc1Cl)N1CCN(c2ccccn2)CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
CHRM4 P08173 2/20 0.65
POLB P06746 2/20 0.63
KDM4E B2RXH2 7/20 0.61
LMNA P02545 4/20 0.61
MAPT P10636 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 1/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
PKM P14618 1/20 0.58
HSD17B10 Q99714 2/20 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
SCHEMBL2961253 0.85 SMN1; SMN2 (0.66) ALDH1A1CHRM4KDM4ELMNAL3MBTL1
SCHEMBL2959440 0.83 CHRM4 (0.66) ALDH1A1CHRM4POLBL3MBTL1MEN1
SCHEMBL3218052 0.83 HSD11B1 (0.66) ALDH1A1CHRM4
SCHEMBL2960545 0.82 ALDH1A1 (0.75) ALDH1A1POLBKDM4ELMNAMAPT
SCHEMBL5251477 0.82 KDM4E (0.76) ALDH1A1POLBKDM4ELMNAMAPT
SCHEMBL10723724 0.81 CHRM4 (0.64) ALDH1A1CHRM4POLBLMNAMAPT
SCHEMBL4324132 0.81 KDM4E (0.79) ALDH1A1POLBKDM4ELMNAMAPT
SCHEMBL13489664 0.80 MEN1 (0.74) ALDH1A1POLBKDM4ELMNAMAPT
SCHEMBL2953059 0.79 CHRM4 (0.53) ALDH1A1CHRM4
SCHEMBL3224518 0.79 HSD11B1 (0.65) ALDH1A1CHRM4L3MBTL1SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US claimed
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 82/4885CHRM4 4346/4885POLB 503/4885

“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.