SCHEMBL4720919

SCHEMBL4720919

CCCCCCCCOc1ccc(N(C(=O)c2cc(C)on2)c2nc(-c3ccc(Cl)s3)cs2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 2/20 0.36
SMPD1 P17405 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 3/20 0.36
RXFP1 Q9HBX9 2/20 0.36
ACACB O00763 1/20 0.33
ATP4A P20648 3/20 0.33
ATP4B P51164 3/20 0.33
FAAH O00519 1/20 0.33
PLA2G2A P14555 1/20 0.33
PLA2G4A P47712 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL5427017 1.00 TDP1 (0.38) TDP1NPC1SMPD1ALDH1A1GAA
SCHEMBL9101339 0.91 NPC1 (0.36) NPC1SMPD1ALDH1A1GAARAB9A
SCHEMBL14409900 0.86 THRA (0.36) NPC1ALDH1A1GAARAB9AMAPT
SCHEMBL14409898 0.83 MAPT (0.43) TDP1NPC1SMPD1ALDH1A1RAB9A
SCHEMBL5423201 0.83 MAPT (0.43) TDP1NPC1SMPD1ALDH1A1RAB9A
SCHEMBL5428280 0.83 NPC1 (0.42) NPC1ALDH1A1GAARAB9AMAPT
SCHEMBL4655532 0.83 NPC1 (0.42) NPC1ALDH1A1GAARAB9AMAPT
SCHEMBL9099343 0.82 NPC1 (0.39) NPC1ALDH1A1GAARAB9AMAPT
SCHEMBL5431283 0.70 THRA (0.35) NPC1ALDH1A1GAARAB9AMAPT
SCHEMBL5421075 0.70 THRB (0.39) NPC1SMPD1ALDH1A1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460800-A1 Substituted aminothiazole derivatives with anti-HCV activity Achillion Pharmaceuticals, Inc. (US) 2012-06-06 EP claimed
EP-1996565-A2 SUBSTITUTED AMINOTHIAZOLE DERIVATIVES WITH ANTI-HCV ACTIVITY Achillion Pharmaceuticals, Inc. (US) 2008-12-03 EP claimed
WO-2007103550-A2 SUBSTITUTED AMINOTHIAZOLE DERIVATIVES WITH ANTI-HCV ACTIVITY ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 WO claimed
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 US claimed
EP-2460800-A1 Substituted aminothiazole derivatives with anti-HCV activity Achillion Pharmaceuticals, Inc. (US) 2012-06-06 EP disclosed
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 US disclosed
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 US disclosed
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 US 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-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity EIF2AK2, BCAT1, IL4I1 TDP1 3349/4885NPC1 1995/4885SMPD1 4116/4885

“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.