SCHEMBL2961253

SCHEMBL2961253

O=S(=O)(c1ccccc1Cl)N1CCN(c2ncccn2)CC1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
CHRM4 P08173 2/20 0.60
ALDH1A1 P00352 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 3/20 0.57
MEN1 O00255 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 2/20 0.56
NPC1 O15118 1/20 0.56
USP2 O75604 1/20 0.56
PKM P14618 1/20 0.54
GAA P10253 1/20 0.53
PIK3CA P42336 1/20 0.53
MTOR P42345 1/20 0.53
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52
GBA1 P04062 1/20 0.52

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
SCHEMBL2963306 0.85 ALDH1A1 (0.68) SMN1; SMN2CHRM4ALDH1A1L3MBTL1KMT2A
SCHEMBL3218052 0.85 HSD11B1 (0.66) CHRM4ALDH1A1GAAGBA1
SCHEMBL15915961 0.84 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1L3MBTL1RAB9AKMT2A
SCHEMBL10723724 0.83 CHRM4 (0.64) SMN1; SMN2CHRM4ALDH1A1KMT2AMEN1
SCHEMBL2963574 0.81 HSD11B1 (0.65) SMN1; SMN2ALDH1A1L3MBTL1RAB9AKMT2A
SCHEMBL3224518 0.81 HSD11B1 (0.65) SMN1; SMN2CHRM4ALDH1A1L3MBTL1RAB9A
SCHEMBL2953059 0.81 CHRM4 (0.53) CHRM4ALDH1A1GAAGBA1
SCHEMBL2961026 0.81 CHRM4 (0.62) SMN1; SMN2CHRM4ALDH1A1KMT2ALMNA
SCHEMBL2962429 0.80 MEN1 (0.62) SMN1; SMN2CHRM4ALDH1A1KMT2AMEN1
SCHEMBL3223553 0.80 CHRM4 (0.61) CHRM4ALDH1A1TDP1GBA1

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 SMN1; SMN2 4417/4885CHRM4 4346/4885ALDH1A1 82/4885

“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.