SCHEMBL287429

SCHEMBL287429

O=C(CN1C=CCC(c2cc(Cc3ccccc3)on2)=C1)c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.36
RET P07949 1/20 0.36
ALDH1A1 P00352 6/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CASP1 P29466 1/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
ABL1 P00519 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
NFKB2 Q00653 1/20 0.34
KMT2A Q03164 1/20 0.34
RELA Q04206 1/20 0.34
GRIN1 Q05586 1/20 0.33

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
SCHEMBL287279 0.80 GRM5 (0.39) NPSR1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL297066 0.78 SMN1; SMN2 (0.37) NPSR1ALDH1A1KDM4ECASP1TSHR
SCHEMBL298742 0.77 CACNA2D1 (0.35) NPSR1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL659986 0.77 NPC1 (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL661206 0.75 HSD17B1 (0.42) NPSR1ALDH1A1NPC1RAB9ATSHR
SCHEMBL298661 0.75 KMT2A (0.37) ALDH1A1NPC1RAB9AKDM4ECASP1
SCHEMBL297726 0.74 MAPT (0.38) ALDH1A1NPC1RAB9AKDM4ECASP1
SCHEMBL660685 0.72 ALDH1A1 (0.40) ALDH1A1NPC1RAB9AKDM4ECASP1
SCHEMBL660093 0.71 ALDH1A1 (0.44) NPSR1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL661022 0.69 NPSR1 (0.40) NPSR1ALDH1A1NPC1RAB9AKDM4E

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 NPSR1 3243/4885RET 1203/4885ALDH1A1 676/4885

“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.