SCHEMBL5427645

SCHEMBL5427645

CCCCCCCOc1ccc(N(C(=O)C2CCCCC2)c2nc(-c3ccccn3)cs2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
PPP1CA P62136 1/20 0.43
UCHL1 P09936 1/20 0.42
USP30 Q70CQ3 1/20 0.42
GRM1 Q13255 4/20 0.41
GRIA1 P42261 2/20 0.41
CPT2 P23786 1/20 0.41
CPT1A P50416 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL5418924 0.85 RAB9A (0.40) ALDH1A1L3MBTL1RAB9AADORA3UCHL1
SCHEMBL4656459 0.85 MAPT (0.47) ALDH1A1L3MBTL1ADORA3MAPTPKM
SCHEMBL9885432 0.77 S1PR5 (0.38) S1PR5
SCHEMBL5417643 0.75 ATP4A (0.46) ALDH1A1L3MBTL1RAB9AMAPTCPT2
SCHEMBL4655588 0.74 UCHL1 (0.39) RAB9AMAPTUCHL1USP30GRM1
SCHEMBL5428907 0.72 NPC1 (0.47) ALDH1A1RAB9AMAPTGRM1CYP1A2
SCHEMBL5421143 0.72 NPC1 (0.47) ALDH1A1RAB9AMAPTGRM1CYP1A2
SCHEMBL4655616 0.71 ATP4A (0.53) ALDH1A1L3MBTL1RAB9AMAPTGRM1
SCHEMBL4656417 0.71 ATP4A (0.52) L3MBTL1RAB9AMAPTGRM1CYP1A2
SCHEMBL4656576 0.71 ATP4A (0.52) L3MBTL1RAB9AMAPTGRM1CYP1A2

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 ALDH1A1 1136/4885L3MBTL1 3225/4885RAB9A 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.