SCHEMBL4656451

SCHEMBL4656451

CCCCCOc1ccc(N(C(=O)c2cc(C)on2)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
GFER P55789 1/20 0.38
GRM1 Q13255 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
PSMD14 O00487 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
ATP4A P20648 2/20 0.36
ATP4B P51164 2/20 0.36

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
SCHEMBL4715023 0.87 NPC1 (0.43) NPC1GFERGRM1SMN1; SMN2ALDH1A1
SCHEMBL5424362 0.87 NPC1 (0.40) NPC1GFERGRM1SMN1; SMN2ALDH1A1
SCHEMBL5428290 0.87 NPC1 (0.41) NPC1GFERGRM1SMN1; SMN2ALDH1A1
SCHEMBL4656700 0.86 NPC1 (0.42) NPC1GFERGRM1SMN1; SMN2ALDH1A1
SCHEMBL4761703 0.86 NPC1 (0.41) NPC1GFERGRM1SMN1; SMN2ALDH1A1
SCHEMBL4655649 0.86 NPC1 (0.42) NPC1GFERGRM1SMN1; SMN2ALDH1A1
SCHEMBL4658007 0.86 NPC1 (0.42) NPC1GFERGRM1SMN1; SMN2ALDH1A1
SCHEMBL4656607 0.86 NPC1 (0.42) NPC1GFERGRM1SMN1; SMN2ALDH1A1
SCHEMBL5423067 0.85 NPC1 (0.41) NPC1GFERGRM1SMN1; SMN2ALDH1A1
SCHEMBL4655587 0.85 NPC1 (0.41) NPC1GFERGRM1SMN1; SMN2ALDH1A1

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 7 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

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 1995/4885GFER 1257/4885GRM1 3227/4885

“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.