SCHEMBL3458525

SCHEMBL3458525

CC(=O)c1cn2c(n1)SCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.51
RAB9A P51151 8/20 0.51
MEN1 O00255 8/20 0.51
KMT2A Q03164 8/20 0.51
MAPT P10636 12/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
GFER P55789 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
ALDH1A1 P00352 5/20 0.44
PKM P14618 1/20 0.44
GAA P10253 4/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
NSD2 O96028 1/20 0.43
ALPL P05186 1/20 0.43

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
SCHEMBL8813841 0.90 MEN1 (0.43) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL15485795 0.83 MAPT (0.46) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7186322 0.72 KMT2A (0.45) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL8339941 0.72
SCHEMBL925818 0.68 MAPT (0.47) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7181038 0.68 MAPT (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL13248499 0.68 MAPT (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL13248348 0.68 MAPT (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL14701710 0.67 WDR5 (0.50) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL8811741 0.66 WDR5 (0.46) NPC1RAB9AKMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258703-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands Abbott Laboratories (US) 2010-12-08 EP disclosed
US-7205316-B2 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2007-04-17 US disclosed
EP-1751130-A2 TRI- AND BI-CYCLIC HETEROARYL HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2007-02-14 EP disclosed
US-20050272736-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands ABBVIE INC. 2005-12-08 US disclosed
WO-2005113536-A2 TRI- AND BI-CYCLIC HETEROARYL HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2005-12-01 WO disclosed
US-20050256309-A1 Tri-and bi-cyclic heteroaryl histamine-3 receptor ligands ABBOTT LABORATORIES 2005-11-17 US disclosed
EP-0785937-A1 2-(IMIDAZOL-4-YL)CARBAPENEME DERIVATIVES, INTERMEDIATES THEREOF AND USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1997-07-30 EP disclosed
WO-1996011932-A1 2-(IMIDAZOL-4-YL)CARBAPENEME DERIVATIVES, INTERMEDIATES THEREOF AND USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1996-04-25 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 (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-20050272736-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands HRH3, HRH4, HRH2 NPC1 2680/4885RAB9A 924/4885MEN1 1776/4885
US-20050256309-A1 Tri-and bi-cyclic heteroaryl histamine-3 receptor ligands HRH3, HRH4, HRH2 NPC1 2680/4885RAB9A 924/4885MEN1 1776/4885

“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.