SCHEMBL2931603

SCHEMBL2931603

Cc1ccc(-c2nc3ccc(C)cn3c2C(S)C(=O)Oc2ccccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
LMNA P02545 1/20 0.42
ALB P02768 1/20 0.42
CYP3A4 P08684 1/20 0.42
CHRM1 P11229 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA3 P34903 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 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
SCHEMBL6011806 0.78 KDM4E (0.52) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL8094715 0.71 KDM4E (0.50) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL13772361 0.71 GABRA1 (0.48) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL6216568 0.70 KDM4E (0.52) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL5253722 0.70 KDM4E (0.52) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL7998726 0.69 TP53 (0.56) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL8286547 0.69 GABRB2 (0.63) NPC1RAB9AKDM4EHPGDHSD17B10
SCHEMBL6216979 0.69 NR1H4 (0.54) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL6216380 0.69 KDM4E (0.50) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL436359 0.68 GABRA1 (0.58) NPC1RAB9AKDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682549-B1 IMIDAZO[1,2-A]PYRIDINE ANXIOLYTICS SEPRACOR INC (US) 2010-09-22 EP disclosed
US-7723324-B2 Imidazo[1,2-A]pyridine anxiolytics SEPRACOR, INC. (US) 2010-05-25 US disclosed
US-7566725-B2 Imidazo[1,2-A] pyridine anxiolytics SEPRACOR INC. (US) 2009-07-28 US disclosed
US-20080096867-A1 Imidazo[1,2-A] Pyridine Anxiolytics SEPRACOR INC. (US) 2008-04-24 US disclosed
US-20070043074-A1 IMIDAZO[1,2-A] PYRIDINE ANXIOLYTICS SEPRACOR INC. (US) 2007-02-22 US disclosed
US-7148353-B2 Imidazo[1,2-a] pyridine anxiolytics SEPRACOR INC. (US) 2006-12-12 US disclosed
EP-1682549-A2 IMIDAZO[1,2-A]PYRIDINE ANXIOLYTICS Sepracor Inc. (US) 2006-07-26 EP disclosed
US-20050171144-A1 Imidazo[1,2-a] pyridine anxiolytics SEPRACOR INC. (US) 2005-08-04 US disclosed
WO-2005044818-A2 IMIDAZO[1,2-A]PYRIDINE ANXIOLYTICS SEPRACOR, INC. (US) 2005-05-19 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 (3 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-20070043074-A1 IMIDAZO[1,2-A] PYRIDINE ANXIOLYTICS CNR1, CNR2, GABRA5 NPC1 922/4885RAB9A 2233/4885KDM4E 995/4885
US-20050171144-A1 Imidazo[1,2-a] pyridine anxiolytics CNR1, CNR2, GABRA5 NPC1 922/4885RAB9A 2233/4885KDM4E 995/4885
US-20080096867-A1 Imidazo[1,2-A] Pyridine Anxiolytics MTNR1B, ADORA2B, ADRA2B NPC1 1038/4885RAB9A 995/4885KDM4E 796/4885

“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.