SCHEMBL2127679

SCHEMBL2127679

CCN(CC)c1ccc(-c2cn3cc(C(N)=NOC(=O)C(F)(F)F)ccc3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
NPC1 O15118 7/20 0.45
KDM4E B2RXH2 6/20 0.45
RAB9A P51151 6/20 0.45
POLB P06746 2/20 0.45
GAA P10253 2/20 0.45
APP P05067 9/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A3 P47895 1/20 0.39
HPGDS O60760 1/20 0.39

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
SCHEMBL2632304 0.82 APP (0.46) ALDH1A1NPC1KDM4ERAB9APOLB
SCHEMBL2128034 0.82 APP (0.46) ALDH1A1NPC1KDM4ERAB9APOLB
SCHEMBL2127590 0.78 ALDH1A1 (0.62) ALDH1A1NPC1KDM4ERAB9APOLB
SCHEMBL2128791 0.78 ALDH1A1 (0.65) ALDH1A1NPC1KDM4ERAB9APOLB
Bromide SCHEMBL2128134 0.77 ALDH1A1 (0.61) ALDH1A1NPC1KDM4ERAB9APOLB
Trifluoroacetic Acid SCHEMBL2127677 0.76 ALDH1A1 (0.45) ALDH1A1NPC1KDM4ERAB9APOLB
Trifluoroacetic Acid SCHEMBL2128124 0.75 APP (0.58) ALDH1A1NPC1KDM4ERAB9APOLB
SCHEMBL2128843 0.75 ALDH1A3 (0.48) ALDH1A1NPC1KDM4ERAB9APOLB
Trifluoroacetic Acid SCHEMBL2128917 0.73 APP (0.60) ALDH1A1NPC1KDM4ERAB9APOLB
SCHEMBL2127723 0.71 APP (0.53) ALDH1A1NPC1KDM4ERAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399476-B2 Imidazo[1,2-a]pyridines and their use as pharmaceuticals SANOFI (FR) 2013-03-19 US disclosed
EP-2129375-B1 IMIDAZO[1,2-A]PYRIDINES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2012-04-25 EP disclosed
US-20100113412-A1 IMIDAZO[1,2-a]PYRIDINES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
EP-2129375-A1 IMIDAZO[1,2-A]PYRIDINES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-12-09 EP disclosed
WO-2008104278-A1 IMIDAZO[1,2-A] PYRIDINES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2008-09-04 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-20100113412-A1 IMIDAZO[1,2-a]PYRIDINES AND THEIR USE AS PHARMACEUTICALS NOS1, PTGIS, NOS2 ALDH1A1 1286/4885NPC1 2959/4885KDM4E 879/4885

“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.