SCHEMBL287330

SCHEMBL287330

CS(=O)(=O)NNC(=O)C1=CN(CC(=O)c2cccs2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.38
CASP1 P29466 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL297771 0.86 GAA (0.46) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL287216 0.80 HTT (0.47) HTTALDH1A1MEN1KMT2AKDM4E
SCHEMBL297269 0.80 ALDH1A1 (0.42) HTTALDH1A1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL28481984 0.78 ALDH1A1 (0.38) HTTALDH1A1MEN1KMT2AKDM4E
SCHEMBL287270 0.78 ALDH1A1 (0.47) HTTALDH1A1MEN1KMT2AKDM4E
SCHEMBL297598 0.77 ALDH1A1 (0.40) HTTALDH1A1MEN1KMT2AKDM4E
SCHEMBL287198 0.77 ALDH1A1 (0.39) HTTALDH1A1MEN1KMT2AKDM4E
SCHEMBL287773 0.77 ALDH1A1 (0.39) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL659786 0.77 ALDH1A1 (0.38) HTTALDH1A1MEN1KMT2AKDM4E
SCHEMBL661298 0.76 ALDH1A1 (0.38) HTTALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO claimed
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP disclosed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT HTT 75/4885ALDH1A1 676/4885MEN1 1455/4885

“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.