SCHEMBL5634355

SCHEMBL5634355

Cc1ccccc1Nc1ncc(C(=O)c2ccccc2)s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.72
RAB9A P51151 10/20 0.72
SMN1; SMN2 Q16637 7/20 0.72
MAPT P10636 4/20 0.72
HTT P42858 3/20 0.72
ALDH1A1 P00352 3/20 0.72
KDM4E B2RXH2 1/20 0.72
PLA2G1B P04054 1/20 0.72
NFKB1 P19838 1/20 0.72
NFKB2 Q00653 1/20 0.72
RELA Q04206 1/20 0.72
ATG4B Q9Y4P1 1/20 0.72
MAPK13 O15264 6/20 0.68
MAPK12 P53778 6/20 0.68
MAPK11 Q15759 6/20 0.68
MAPK14 Q16539 6/20 0.68
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66

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
SCHEMBL5634604 0.86 MAPK13 (0.59) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL20142254 0.85 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL20142842 0.83 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL5634397 0.82 MAPK13 (0.74) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL5634110 0.82 MAPK13 (0.67) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL5635687 0.81 MAPK13 (0.51) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL5634502 0.81 MAPK13 (0.54) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL5634240 0.80 MAPK13 (0.53) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL5635191 0.80 MAPK13 (0.56) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL774143 0.79 LCK (0.72) MAPK13MAPK12MAPK11MAPK14

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
US-7253197-B2 Aminothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1539722-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-15 EP disclosed
US-20040038990-A1 Aminothiazole derivatives HOFFMANN-LA ROCHE INC. 2004-02-26 US disclosed
WO-2004014884-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-19 WO 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-20040038990-A1 Aminothiazole derivatives FABP4, GPR119, ABAT NPC1 572/4885RAB9A 1476/4885SMN1; SMN2 2713/4885

“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.