SCHEMBL4952001

SCHEMBL4952001

N#Cc1ccc(-c2ccc(-c3cn4cc(C#N)ccc4n3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 10/20 0.78
APP P05067 3/20 0.74
ALDH1A1 P00352 6/20 0.59
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
KDM4E B2RXH2 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
ALDH1A2 O94788 1/20 0.56
PAX8 Q06710 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
MITF O75030 1/20 0.53
KDM5A P29375 1/20 0.53
KDM5C P41229 1/20 0.53
SLC2A1 P11166 1/20 0.50
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL4954009 0.93 ALDH1A3 (0.88) ALDH1A3APPALDH1A1NPC1RAB9A
SCHEMBL5301325 0.92 ALDH1A3 (0.86) ALDH1A3APPALDH1A1NPC1RAB9A
SCHEMBL2128252 0.90 APP (0.74) ALDH1A3APPALDH1A1NPC1RAB9A
SCHEMBL6320343 0.89 ALDH1A3 (0.72) ALDH1A3APPALDH1A1NPC1RAB9A
SCHEMBL4952240 0.89 APP (0.68) ALDH1A3APPALDH1A1NPC1RAB9A
SCHEMBL2126826 0.89 APP (0.68) ALDH1A3APPALDH1A1NPC1RAB9A
SCHEMBL14046613 0.89 ALDH1A3 (0.81) ALDH1A3APPALDH1A1NPC1RAB9A
SCHEMBL4951576 0.88 ALDH1A3 (0.71) ALDH1A3APPALDH1A1NPC1RAB9A
Bromide SCHEMBL1691490 0.88 APP (0.67) ALDH1A3APPALDH1A1NPC1RAB9A
SCHEMBL6320351 0.88 ALDH1A3 (0.70) ALDH1A3APPALDH1A1NPC1RAB9A

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
US-7432278-B2 Dicationic imidazo[1,2-a]pyridines and 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridines as antiprotozoal agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-10-07 US disclosed
EP-1745045-A2 NOVEL DICATIONIC IMIDAZO 1,2-a PYRIDINES AND 5,6,7,8-TE TRAHYDRO-IMIDAZO 1,2a PYRIDINES AS ANTIPROTOZOAL AGENTS The University of North Carolina at Chapel Hill (US) 2007-01-24 EP disclosed
US-20050282853-A1 Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8,-tetrahydro-imidazo[1,2,-a]pyridines as antiprotozoal agents BOYKIN DAVID W 2005-12-22 US disclosed
WO-2005086808-A2 NOVEL DICATIONIC IMIDAZO[1,2-a]PYRIDINES AND 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2a]PYRIDINES AS ANTIPROTOZOAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-09-22 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-20050282853-A1 Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8,-tetrahydro-imidazo[1,2,-a]pyridines as antiprotozoal agents PBRM1, QDPR, DHPS ALDH1A3 1894/4885APP 4309/4885ALDH1A1 1820/4885

“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.