SCHEMBL4656459

SCHEMBL4656459

CCCCCCOc1ccc(N(C(N)=O)c2nc(-c3ccccn3)cs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
PPP1CA P62136 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GRIA1 P42261 4/20 0.46
GRM1 Q13255 4/20 0.46
CYP1A2 P05177 3/20 0.45
CYP2D6 P10635 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 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
SCHEMBL5421143 0.86 NPC1 (0.47) MAPTALDH1A1GRM1CYP1A2CYP2D6
SCHEMBL5428907 0.86 NPC1 (0.47) MAPTALDH1A1GRM1CYP1A2CYP2D6
SCHEMBL4656576 0.85 ATP4A (0.52) MAPTL3MBTL1GRM1CYP1A2CYP2D6
SCHEMBL4656417 0.85 ATP4A (0.52) MAPTL3MBTL1GRM1CYP1A2CYP2D6
SCHEMBL5427645 0.85 ALDH1A1 (0.44) MAPTALDH1A1PKMPPP1CAL3MBTL1
SCHEMBL5425263 0.84 GRM1 (0.47) MAPTALDH1A1PKMPPP1CAL3MBTL1
SCHEMBL4656600 0.83 MAPK14 (0.52) MAPTALDH1A1LMNANPC1ATP4A
SCHEMBL5426480 0.83 MAPK14 (0.52) MAPTALDH1A1LMNANPC1ATP4A
SCHEMBL4655643 0.83 MAPK14 (0.52) MAPTALDH1A1LMNANPC1ATP4A
SCHEMBL4655569 0.82 GRM1 (0.44) MAPTALDH1A1PKMPPP1CAL3MBTL1

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 MAPT 3967/4885ALDH1A1 1136/4885PKM 4068/4885

“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.