SCHEMBL287276

SCHEMBL287276

O=C(CN1C=CCC(c2cc(CCC3CCCCC3)nn2-c2ccccc2)=C1)c1cccs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD11B1 P28845 1/20 0.33
FAAH O00519 1/20 0.33
KDM4E B2RXH2 2/20 0.33
EPHX2 P34913 2/20 0.33
PTGS2 P35354 1/20 0.33
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 2/20 0.33
CASP1 P29466 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
TSHR P16473 1/20 0.32
GRM5 P41594 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL287222 0.82 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AHPGDHSD11B1
SCHEMBL661658 0.76 GRM5 (0.38) ALDH1A1HPGDKDM4ETSHRGRM5
Bromide SCHEMBL5359071 0.75 EPHX2 (0.41) ALDH1A1NPC1RAB9AHPGDL3MBTL1
SCHEMBL287279 0.72 GRM5 (0.39) ALDH1A1NPC1RAB9AHPGDL3MBTL1
SCHEMBL287148 0.71 ALDH1A1 (0.33) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL661852 0.69 CTNNB1 (0.34) ALDH1A1NPC1RAB9AHPGDKDM4E
SCHEMBL297985 0.68 MAPT (0.35) ALDH1A1NPC1RAB9AHPGDHSD11B1
SCHEMBL287460 0.68 HPGD (0.44) ALDH1A1NPC1RAB9AHPGDL3MBTL1
SCHEMBL297066 0.67 SMN1; SMN2 (0.37) ALDH1A1HPGDL3MBTL1KDM4ECASP1
SCHEMBL297726 0.66 MAPT (0.38) ALDH1A1NPC1RAB9AKDM4ECASP1

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 676/4885NPC1 1176/4885RAB9A 2179/4885

“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.