SCHEMBL298004

SCHEMBL298004

COc1ccc(C(=O)CN2CCC=C(C(=O)NNS(=O)(=O)c3ccc(C)cc3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.52
ALDH1A1 P00352 8/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 2/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
PKM P14618 1/20 0.46
GAA P10253 5/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL297538 0.86 ALDH1A1 (0.50) GFERALDH1A1MAPTHTTKMT2A
SCHEMBL287138 0.78 GFER (0.52) GFERALDH1A1MAPTHTTKMT2A
SCHEMBL287258 0.75 ALDH1A1 (0.52) GFERALDH1A1HTTKMT2AMEN1
SCHEMBL298396 0.74 ALDH1A1 (0.44) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL287300 0.71 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL27592073 0.71 HTT (0.53) GFERALDH1A1MAPTHTTKMT2A
SCHEMBL297907 0.71 ALDH1A1 (0.45) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL660141 0.69 HTT (0.53) GFERALDH1A1MAPTHTTKMT2A
SCHEMBL25872083 0.68 GFER (0.91) GFERALDH1A1MAPTHTTKMT2A
SCHEMBL9412335 0.67 ALDH1A1 (0.66) GFERALDH1A1MAPTKMT2AMEN1

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.