SCHEMBL2650286

SCHEMBL2650286

OB(O)c1ccccc1-n1cccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
G6PD P11413 1/20 0.48
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
NOTUM Q6P988 1/20 0.39
TDO2 P48775 1/20 0.39
CYP46A1 Q9Y6A2 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
CHRNA7 P36544 1/20 0.35
CHRNA10 Q9GZZ6 1/20 0.35
CHRNA9 Q9UGM1 1/20 0.35

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
SCHEMBL29952974 0.80 KMT2A (0.47) MAPK1NPC1ALDH1A1KDM4ELMNA
SCHEMBL15573902 0.80 KMT2A (0.47) MAPK1NPC1ALDH1A1KDM4ELMNA
SCHEMBL4341886 0.80 MAPK1 (0.67) MAPK1NPC1ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL4336588 0.78 MAPK1 (0.64) MAPK1NPC1ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL4340576 0.78 MAPK1 (0.64) MAPK1NPC1ALDH1A1KDM4ELMNA
SCHEMBL4332969 0.78 MAPK1 (0.64) MAPK1NPC1ALDH1A1KDM4ELMNA
SCHEMBL29951340 0.76 KDM4E (0.44) NPC1ALDH1A1KDM4ELMNAKMT2A
Hydrochloric Acid SCHEMBL4340573 0.76 MAPK1 (0.62) MAPK1NPC1ALDH1A1KDM4ELMNA
SCHEMBL29953726 0.75 LMNA (0.40) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL206362 0.75 KDM4E (0.64) MAPK1NPC1ALDH1A1KDM4ELMNA

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
US-7279580-B2 Imidazo-pyridine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LIMITED (GB) 2007-10-09 US claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2183027-A1 ORGANIC COMPOUNDS Novartis Ag (CH) 2010-05-12 EP disclosed
WO-2009013335-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-01-29 WO disclosed
US-7279580-B2 Imidazo-pyridine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LIMITED (GB) 2007-10-09 US disclosed
EP-1511747-B1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-04-12 EP disclosed
US-20050165048-A1 Imidazo-pyridine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2005-07-28 US disclosed
EP-1511747-A1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-03-09 EP disclosed
WO-2003099816-A1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-12-04 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-20050165048-A1 Imidazo-pyridine derivatives as ligands for gaba receptors GABRA3, GABRA2, GABRA5 MAPK1 1686/4885NPC1 2950/4885ALDH1A1 995/4885

“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.