SCHEMBL2005622

SCHEMBL2005622

CN(C)S(=O)(=O)c1cccc(C(=O)Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
ALDH1A1 P00352 7/20 0.59
LMNA P02545 4/20 0.59
MAPT P10636 1/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 6/20 0.57
NPC1 O15118 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
HSD17B10 Q99714 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
TNF P01375 1/20 0.49
NOD1 Q9Y239 1/20 0.49
KDM1A O60341 1/20 0.48

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
SCHEMBL29399627 0.84 MEN1 (0.65) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL3653439 0.84 MEN1 (0.65) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL35185 0.84 MEN1 (0.65) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL2848307 0.83 MEN1 (0.63) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL11595449 0.82 MEN1 (0.45) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6708776 0.81 SIRT2 (0.64) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL30901132 0.80 CA2 (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6517138 0.80 CA2 (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL30901133 0.80 CA2 (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL35357 0.80 SMN1; SMN2 (0.54) MEN1KMT2AALDH1A1LMNARAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1864976-B1 PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-10-10 EP disclosed
US-7960562-B2 Propane-1,3-dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-06-14 US disclosed
US-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof ASTELLAS PHARMA INC. 2009-07-16 US disclosed
EP-1864976-A1 PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-12-12 EP 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-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof GNRHR, KISS1R, FSHR MEN1 1019/4885KMT2A 1359/4885ALDH1A1 2646/4885

“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.