SCHEMBL2962444

SCHEMBL2962444

CN(C)c1cccc2c(S(=O)(=O)N3CCN(C4CCCC4)CC3)cccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.72
ATM Q13315 1/20 0.72
HTR6 P50406 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
TGM2 P21980 5/20 0.51
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.48
CA2 P00918 1/20 0.48
EPHX1 P07099 1/20 0.47
EPHX2 P34913 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL25531 0.87 KMT2A (0.88) KMT2AATMHTR6SMN1; SMN2TGM2
SCHEMBL29437927 0.87 KMT2A (0.88) KMT2AATMHTR6SMN1; SMN2TGM2
SCHEMBL13239844 0.84 ALDH1A1 (0.52) KMT2AATMHTR6ALDH1A1MEN1
SCHEMBL5459173 0.84 KMT2A (0.54) KMT2AATMHTR6TGM2EPHX1
SCHEMBL2954371 0.82 KMT2A (0.59) KMT2AATMSMN1; SMN2ALDH1A1MEN1
SCHEMBL15934204 0.82 KMT2A (0.79) KMT2AATMHTR6SMN1; SMN2TGM2
SCHEMBL2960616 0.81 MEN1 (0.67) KMT2AHTR6SMN1; SMN2ALDH1A1MEN1
SCHEMBL14256516 0.80 KMT2A (0.75) KMT2AATMHTR6SMN1; SMN2TGM2
SCHEMBL12989209 0.80 KMT2A (0.60) KMT2AATMHTR6SMN1; SMN2TGM2
SCHEMBL29678142 0.79 KMT2A (0.70) KMT2AATMHTR6SMN1; SMN2TGM2

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 7 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
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 3335/4885ATM 2906/4885HTR6 2422/4885

“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.