SCHEMBL287300

SCHEMBL287300

O=C(NNS(=O)(=O)c1ccccc1)C1=CCCN(CC(=O)c2cccs2)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 1/20 0.48
CASP1 P29466 1/20 0.48
GAA P10253 7/20 0.47
LMNA P02545 1/20 0.44
KAT6A Q92794 4/20 0.42
PKM P14618 1/20 0.41
NPY5R Q15761 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL297907 0.89 ALDH1A1 (0.45) ALDH1A1KDM4ECASP1GAALMNA
SCHEMBL287270 0.87 ALDH1A1 (0.47) ALDH1A1KDM4ECASP1GAALMNA
SCHEMBL27854946 0.80 ALDH1A1 (0.48) ALDH1A1KDM4ECASP1GAALMNA
SCHEMBL660129 0.77 GAA (0.46) ALDH1A1GAALMNAKAT6APKM
SCHEMBL7202113 0.75 GAA (0.76) ALDH1A1GAALMNAKAT6ANPY5R
SCHEMBL287364 0.74 ALDH1A1 (0.51) ALDH1A1KDM4ECASP1GAALMNA
SCHEMBL298699 0.74 LMNA (0.47) ALDH1A1KDM4ECASP1GAALMNA
SCHEMBL297715 0.72 ALDH1A1 (0.41) ALDH1A1KDM4ECASP1GAAMAPT
SCHEMBL297717 0.72 ALDH1A1 (0.41) ALDH1A1KDM4ECASP1GAAMAPT
SCHEMBL297716 0.72 ALDH1A1 (0.41) ALDH1A1KDM4ECASP1GAAMAPT

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 ALDH1A1 676/4885KDM4E 2916/4885CASP1 1670/4885

“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.