SCHEMBL2950381

SCHEMBL2950381

O=[N+]([O-])c1cccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
CHRM4 P08173 2/20 0.48
BCL2A1 Q16548 1/20 0.47

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
SCHEMBL2959785 0.86 KMT2A (0.62) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2962776 0.83 KMT2A (0.64) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL13239834 0.81 MAPT (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2962429 0.80 MEN1 (0.62) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL13239828 0.80 MAPT (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2627249 0.78 MAPT (0.69) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL11508240 0.78 MEN1 (0.65) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL14919985 0.76 MAPT (0.59) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2956976 0.76 KMT2A (0.65) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL14140324 0.76 MEN1 (0.60) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT

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 MEN1 2689/4885KMT2A 3335/4885SMN1; SMN2 4417/4885

“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.