SCHEMBL6875244

SCHEMBL6875244

COc1cc(-c2cn3ccc(C)cc3n2)ccc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.62
NPC1 O15118 7/20 0.57
RAB9A P51151 7/20 0.57
KDM4E B2RXH2 7/20 0.57
HPGD P15428 5/20 0.57
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
HSD17B10 Q99714 4/20 0.57
TSHR P16473 4/20 0.57
PKM P14618 3/20 0.57
TP53 P04637 3/20 0.57
MAPK1 P28482 2/20 0.57
MAPT P10636 4/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
HTT P42858 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50

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
SCHEMBL12797279 0.89 SMN1; SMN2 (0.54) HRH3NPC1RAB9AKDM4EHPGD
SCHEMBL6388711 0.88 RAB9A (0.74) HRH3NPC1RAB9AKDM4EHPGD
SCHEMBL12848495 0.87 RAB9A (0.70) HRH3NPC1RAB9AKDM4EHPGD
SCHEMBL12848607 0.86 ALDH1A1 (0.53) HRH3NPC1RAB9AKDM4EHPGD
SCHEMBL12848990 0.86 NPC1 (0.53) HRH3NPC1RAB9AKDM4EHPGD
SCHEMBL12848976 0.85 RAB9A (0.69) HRH3NPC1RAB9AKDM4EHPGD
SCHEMBL6390132 0.85 RAB9A (0.71) HRH3NPC1RAB9AKDM4EHPGD
SCHEMBL12848935 0.85 ALDH1A3 (0.58) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL9284193 0.84 RAB9A (0.74) HRH3NPC1RAB9AKDM4EHPGD
SCHEMBL12848993 0.83 RAB9A (0.55) HRH3NPC1RAB9AKDM4EHPGD

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-1381363-B1 IMIDAZO [1,2-A]-PYRIDINE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2004-12-08 EP claimed
US-8895599-B2 Lipoprotein lipase-activating compositions comprising benzene derivates OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2014-11-25 US disclosed
US-20130296342-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2013-11-07 US disclosed
US-20110065728-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2011-03-17 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 (2 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-20130296342-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATES LPL, LIPC, LIPE HRH3 2016/4885NPC1 366/4885RAB9A 3933/4885
US-20110065728-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATIVES LPL, LIPC, LIPE HRH3 1936/4885NPC1 334/4885RAB9A 3849/4885

“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.