SCHEMBL5428280

SCHEMBL5428280

CCCCCCCOc1ccc(N(C(=O)C(=O)OC)c2nc(-c3ccc(Cl)s3)cs2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 4/20 0.39
TP53 P04637 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
PLA2G4B P0C869 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RARB P10826 3/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL4655532 1.00 NPC1 (0.42) NPC1ALDH1A1RAB9AGAAMAPT
SCHEMBL9099343 0.92 NPC1 (0.39) NPC1ALDH1A1RAB9AGAAMAPT
SCHEMBL5421075 0.83 THRB (0.39) NPC1ALDH1A1RAB9AGAAMAPT
SCHEMBL5427017 0.83 TDP1 (0.38) NPC1ALDH1A1RAB9AGAAMAPT
SCHEMBL4720919 0.83 TDP1 (0.38) NPC1ALDH1A1RAB9AGAAMAPT
SCHEMBL9101339 0.82 NPC1 (0.36) NPC1ALDH1A1RAB9AGAAMAPT
SCHEMBL4656737 0.81 ATP4A (0.50) NPC1RAB9AGAAMAPTTSHR
SCHEMBL4760249 0.81 L3MBTL1 (0.44) NPC1ALDH1A1RAB9AMAPTLMNA
SCHEMBL4657855 0.75 THRB (0.40) NPC1ALDH1A1RAB9AGAAMAPT
SCHEMBL4656445 0.74 ATP4A (0.49) NPC1RAB9AMAPTTSHRHTT

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 6 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
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 NPC1 1995/4885ALDH1A1 1136/4885RAB9A 1099/4885

“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.