SCHEMBL4655600

SCHEMBL4655600

CCCCCCCCOc1ccc(N(C(=O)CC(=O)OC)c2nc(-c3ccc(F)cc3)cs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
ATP4A P20648 9/20 0.42
ATP4B P51164 9/20 0.42
TRPA1 O75762 1/20 0.41
MAPK14 Q16539 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9100048 0.94 KMT2A (0.48) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL5424455 0.90 KMT2A (0.48) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL4656600 0.87 MAPK14 (0.52) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL4655643 0.87 MAPK14 (0.52) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL5426480 0.87 MAPK14 (0.52) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL5424594 0.87 KMT2A (0.42) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL4655485 0.87 KMT2A (0.50) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL5427749 0.84 MAPT (0.40) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL5424346 0.80 L3MBTL1 (0.46) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL4760249 0.79 L3MBTL1 (0.44) KMT2AMEN1MAPTNPC1RAB9A

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-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 KMT2A 2793/4885MEN1 4788/4885MAPT 3967/4885

“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.