SCHEMBL287138

SCHEMBL287138

COc1ccc(C(=O)CN2C=CCC(C(=O)NNS(=O)(=O)c3ccc(C)cc3)=C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.52
ALDH1A1 P00352 5/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 2/20 0.47
GAA P10253 7/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 3/20 0.42
PKM P14618 1/20 0.42
KAT6A Q92794 1/20 0.41
KDM4E B2RXH2 2/20 0.41
EGFR P00533 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
BCAT1 P54687 1/20 0.41

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
SCHEMBL660141 0.92 HTT (0.53) GFERALDH1A1MAPTHTTGAA
SCHEMBL658510 0.89 POLB (0.47) GFERALDH1A1MAPTHTTGAA
SCHEMBL297855 0.86 ALDH1A1 (0.42) GFERALDH1A1MAPTHTTGAA
SCHEMBL658335 0.83 ALDH1A1 (0.61) GFERALDH1A1MAPTHTTGAA
SCHEMBL660454 0.81 KAT6A (0.51) ALDH1A1MAPTGAACYP3A4KMT2A
SCHEMBL298004 0.78 GFER (0.52) GFERALDH1A1MAPTHTTGAA
SCHEMBL287131 0.77 ALDH1A1 (0.48) GFERALDH1A1HTTGAACYP1A2
SCHEMBL658639 0.74 ALDH1A1 (0.39) ALDH1A1MAPTHTTGAACYP3A4
SCHEMBL660526 0.74 KAT6A (0.35) ALDH1A1MAPTGAACYP3A4KMT2A
SCHEMBL27592073 0.71 HTT (0.53) GFERALDH1A1MAPTHTTGAA

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 GFER 1243/4885ALDH1A1 676/4885MAPT 61/4885

“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.