SCHEMBL287216

SCHEMBL287216

O=C(NCCO)C1=CN(CC(=O)c2cccs2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GSK3B P49841 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL287330 0.80 HTT (0.45) HTTMAPK1KDM4EALDH1A1L3MBTL1
SCHEMBL661019 0.76 NPSR1 (0.43) HTTKDM4EALDH1A1NPC1RAB9A
SCHEMBL297771 0.75 GAA (0.46) HTTALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL4578943 0.72 KDM4E (0.77) HTTKDM4ENPC1RAB9AL3MBTL1
Bromide SCHEMBL6009709 0.65 ALDH1A1 (0.56) HTTMAPK1KDM4EALDH1A1NPC1
SCHEMBL3224084 0.64 ALDH1A1 (0.80) HTTMAPK1ALDH1A1NPC1RAB9A
SCHEMBL660707 0.64 GAA (0.47) HTTKDM4EALDH1A1NPC1RAB9A
SCHEMBL18906066 0.64 KDM4E (0.83) HTTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL12181441 0.63 TSHR (0.74) KDM4EALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL28307818 0.62 GSK3B (0.51) HTTMAPK1KDM4EALDH1A1NPC1

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-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
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US 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 75/4885MAPK1 1750/4885KDM4E 2916/4885

“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.