SCHEMBL5425263

SCHEMBL5425263

CCCCCOc1ccc(N(C(N)=O)c2nc(-c3ccccn3)cs2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 4/20 0.47
GRIA1 P42261 4/20 0.42
CYP1A2 P05177 2/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
KDM4A O75164 2/20 0.36
KDM4B O94953 2/20 0.36
KDM5B Q9UGL1 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
PPP1CA P62136 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
AGTR1 P30556 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MAPK14 Q16539 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL5431266 0.88 GRM1 (0.41) GRM1THRATHRBMAPTALDH1A1
SCHEMBL4655569 0.87 GRM1 (0.44) GRM1GRIA1CYP1A2THRATHRB
SCHEMBL4656613 0.86 NPC1 (0.44) GRM1CYP1A2THRATHRBMAPT
SCHEMBL4655529 0.86 MAPK14 (0.49) GRM1THRATHRBMAPTALDH1A1
SCHEMBL5424400 0.85 MEN1 (0.41) THRATHRBMAPTALDH1A1L3MBTL1
SCHEMBL4656459 0.84 MAPT (0.47) GRM1GRIA1CYP1A2MAPTALDH1A1
SCHEMBL9098567 0.83 S1PR4 (0.40) THRATHRBMAPTALDH1A1L3MBTL1
SCHEMBL5429093 0.82 GRM1 (0.40) GRM1GRIA1CYP1A2ALDH1A1L3MBTL1
SCHEMBL5431199 0.81 ENPP2 (0.49) THRATHRBMAPTALDH1A1MAPK14
SCHEMBL5428970 0.79 S1PR1 (0.40) GRM1THRATHRBMAPK14CYP3A4

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 4 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 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 GRM1 3227/4885GRIA1 2024/4885CYP1A2 1215/4885

“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.