SCHEMBL2962776

SCHEMBL2962776

O=S(=O)(c1ccccc1Cl)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.64
MEN1 O00255 6/20 0.64
ALDH1A1 P00352 2/20 0.64
SMN1; SMN2 Q16637 3/20 0.62
POLB P06746 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MAPT P10636 4/20 0.60
SMPD1 P17405 1/20 0.60
LMNA P02545 3/20 0.57
GAA P10253 2/20 0.57
PKM P14618 1/20 0.56
HTT P42858 1/20 0.56
TP53 P04637 1/20 0.56
CHRM4 P08173 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
SCHEMBL13239834 0.89 MAPT (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL2962429 0.88 MEN1 (0.62) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL13239828 0.87 MAPT (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL2953603 0.85 MAPT (0.59) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL20887055 0.84 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2950381 0.83 MEN1 (0.60) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2959767 0.82 TRPV4 (0.67) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL10723724 0.82 CHRM4 (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL3223553 0.81 CHRM4 (0.61) ALDH1A1MAPTTP53CHRM4
SCHEMBL20887186 0.81 PKM (0.61) KMT2AMEN1ALDH1A1SMN1; SMN2POLB

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 KMT2A 3335/4885MEN1 2689/4885ALDH1A1 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.