SCHEMBL1385669

SCHEMBL1385669

O=C(Nc1ccc(C(=O)/C=C/c2cc(N3CCOCC3)c3ccccc3n2)cc1)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MOK Q9UQ07 1/20 0.50
GAA P10253 6/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 6/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 2/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 2/20 0.43
PIK3CA P42336 3/20 0.43
PIK3R1 P27986 2/20 0.43
MTOR P42345 2/20 0.43
PDE10A Q9Y233 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 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
SCHEMBL1385671 1.00 MOK (0.50) MOKGAAALDH1A1MAPTNPC1
SCHEMBL1386140 0.91 MOK (0.54) MOKGAAALDH1A1MAPTNPC1
SCHEMBL1386142 0.91 MOK (0.54) MOKGAAALDH1A1MAPTNPC1
SCHEMBL1385200 0.89 MOK (0.55) MOKALDH1A1MAPTNPC1RAB9A
SCHEMBL1385196 0.89 MOK (0.55) MOKALDH1A1MAPTNPC1RAB9A
SCHEMBL1385155 0.88 MAPT (0.53) MOKGAAALDH1A1MAPTRAB9A
SCHEMBL1385160 0.88 MAPT (0.53) MOKGAAALDH1A1MAPTRAB9A
SCHEMBL5090188 0.87 MTOR (0.53) MOKMAPTNPC1RAB9AKDM4E
SCHEMBL5090197 0.87 MTOR (0.53) MOKMAPTNPC1RAB9AKDM4E
SCHEMBL1384275 0.86 MOK (0.49) MOKMAPTNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4790704-B2 2011-10-12 JP claimed
US-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2008-08-28 US claimed
EP-1748987-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS Torrent Pharmaceuticals Ltd (IN) 2007-02-07 EP claimed
WO-2005097746-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS TORRENT PHARMACEUTICALS LTD (IN) 2005-10-20 WO claimed
US-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2008-08-28 US disclosed
EP-1748987-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS Torrent Pharmaceuticals Ltd (IN) 2007-02-07 EP disclosed
WO-2005097746-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS TORRENT PHARMACEUTICALS LTD (IN) 2005-10-20 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-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers HSPB1, HSF1, HSPE1 MOK 3975/4885GAA 2564/4885ALDH1A1 1129/4885

“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.