SCHEMBL1661075

SCHEMBL1661075

C=C(OCC)c1ncnc(Cl)c1C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TLR9 Q9NR96 1/20 0.33
ENPP1 P22413 1/20 0.33
DGAT1 O75907 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR35 Q9HC97 2/20 0.31
KDM5B Q9UGL1 1/20 0.31
GLP1R P43220 1/20 0.30

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
SCHEMBL28855943 0.85 GALR3 (0.35) ALDH1A1NPC1TP53MAPTXBP1
SCHEMBL29832003 0.85 GALR3 (0.35) ALDH1A1NPC1TP53MAPTXBP1
SCHEMBL20165931 0.83 ALDH1A1 (0.35) ALDH1A1NPC1TP53MAPTXBP1
SCHEMBL17801363 0.83 ALDH1A1 (0.32) ALDH1A1NPC1TP53MAPTXBP1
SCHEMBL3951768 0.75 MAPT (0.35) ALDH1A1NPC1TP53MAPTXBP1
SCHEMBL16398352 0.74 NPC1 (0.31) ALDH1A1NPC1TP53MAPTXBP1
SCHEMBL2258980 0.70 L3MBTL1 (0.50) ALDH1A1NPC1TP53MAPTMAPK1
SCHEMBL13472307 0.69 KDM5B (0.48) ALDH1A1NPC1TP53MAPTXBP1
SCHEMBL1660845 0.69 DGAT1 (0.36) ALDH1A1NPC1TP53MAPTXBP1
SCHEMBL22120053 0.69 HSD17B10 (0.38) ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR PROXIMAGEN LIMITED (GB) 2015-01-01 US disclosed
US-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR PROXIMAGEN LIMITED (GB) 2015-01-01 US disclosed
US-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR PROXIMAGEN LIMITED (GB) 2015-01-01 US disclosed
US-8796283-B2 Indole and azaindole modulators of the alpha 7 nachr PROXIMAGEN LIMITED (GB) 2014-08-05 US disclosed
US-8796283-B2 Indole and azaindole modulators of the alpha 7 nachr PROXIMAGEN LIMITED (GB) 2014-08-05 US disclosed
US-8796283-B2 Indole and azaindole modulators of the alpha 7 nachr PROXIMAGEN LIMITED (GB) 2014-08-05 US disclosed
EP-2488514-B1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LTD (GB) 2013-12-25 EP disclosed
US-20120283273-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LIMITED (UK) 2012-11-08 US disclosed
US-20120283273-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LIMITED (UK) 2012-11-08 US disclosed
US-20120283273-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LIMITED (UK) 2012-11-08 US disclosed
EP-2488514-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR Proximagen Limited (GB) 2012-08-22 EP disclosed
WO-2011045353-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LIMITED (GB) 2011-04-21 WO disclosed
WO-2011045353-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LIMITED (GB) 2011-04-21 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-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR CHRNA7, CHRNA5, CHRNA1 ALDH1A1 534/4885NPC1 3021/4885TP53 3734/4885
US-20120283273-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR CHRNA7, CHRNA5, CHRNA1 ALDH1A1 522/4885NPC1 2974/4885TP53 3547/4885

“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.