SCHEMBL4718191

SCHEMBL4718191

c1ccc(-c2nc3sccn3c2NC2CCCCC2)nc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.65
ALDH1A1 P00352 4/20 0.65
NPSR1 Q6W5P4 3/20 0.65
MAPT P10636 3/20 0.65
MAPK1 P28482 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
GFER P55789 3/20 0.59
LMNA P02545 2/20 0.59
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALOX5 P09917 2/20 0.56
ROCK2 O75116 1/20 0.54
PIM1 P11309 1/20 0.54
KDR P35968 1/20 0.54
GSK3B P49841 1/20 0.54
KDM4E B2RXH2 3/20 0.48
HSP90AA1 P07900 1/20 0.44
SLC2A1 P11166 1/20 0.44
KMT2A Q03164 1/20 0.44
NCOA1 Q15788 1/20 0.44

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
SCHEMBL4715464 0.83 ALOX5 (0.69) GAAALDH1A1MAPTGFERALOX5
SCHEMBL19463919 0.80 GAA (0.98) GAAALDH1A1NPSR1MAPTMAPK1
SCHEMBL4717778 0.80 ALOX5 (0.68) GAAALDH1A1MAPTMAPK1GFER
SCHEMBL20889319 0.77 GAA (0.75) GAAALDH1A1NPSR1MAPTMAPK1
SCHEMBL4716881 0.76 IDO1 (0.69) GAAALDH1A1NPSR1MAPTMAPK1
Acetic Acid SCHEMBL19464155 0.76 GAA (0.83) GAAALDH1A1NPSR1MAPTMAPK1
SCHEMBL4718082 0.76 GAA (0.66) GAAALDH1A1NPSR1MAPTMAPK1
SCHEMBL5166652 0.76 GAA (0.98) GAAALDH1A1NPSR1MAPTMAPK1
Acetic Acid SCHEMBL19464192 0.75 GAA (0.82) GAAALDH1A1NPSR1MAPTMAPK1
Acetic Acid SCHEMBL19464194 0.75 GAA (0.80) GAAALDH1A1NPSR1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218383-B1 BICYCLIC IMIDAZO-5-YL-AMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2008-11-05 EP claimed
US-20040023927-A1 Bicyclic imidazo-5-yl-amine derivatives GRUENENTHAL GMBH (DE) 2004-02-05 US claimed
US-6657064-B2 For use as analgesics GRUENENTHAL GMBH (DE) 2003-12-02 US claimed
US-20020183320-A1 Bicyclic imidazo-5-yl-amine derivatives GRUENENTHAL GMBH (DE) 2002-12-05 US claimed
EP-1218383-B1 BICYCLIC IMIDAZO-5-YL-AMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2008-11-05 EP disclosed
US-6936631-B2 Bicyclic imidazo-5-yl-amine derivatives GRUENENTHAL GMBH (DE) 2005-08-30 US disclosed
US-20040023927-A1 Bicyclic imidazo-5-yl-amine derivatives GRUENENTHAL GMBH (DE) 2004-02-05 US disclosed
US-6657064-B2 For use as analgesics GRUENENTHAL GMBH (DE) 2003-12-02 US disclosed
US-20020183320-A1 Bicyclic imidazo-5-yl-amine derivatives GRUENENTHAL GMBH (DE) 2002-12-05 US disclosed
EP-1218383-A2 BICYCLIC IMIDAZO-5-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2002-07-03 EP disclosed
WO-2001027118-A2 BICYCLIC IMIDAZO-5-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2001-04-19 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-20020183320-A1 Bicyclic imidazo-5-yl-amine derivatives ACHE, P2RX5, CNR1 GAA 2494/4885ALDH1A1 1313/4885NPSR1 218/4885
US-20040023927-A1 Bicyclic imidazo-5-yl-amine derivatives ACHE, P2RX5, CNR1 GAA 2494/4885ALDH1A1 1313/4885NPSR1 218/4885

“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.