SCHEMBL5635378

SCHEMBL5635378

O=C(c1ccccc1)c1cnc(Nc2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 4/20 0.70
MAPK12 P53778 4/20 0.70
MAPK11 Q15759 4/20 0.70
MAPK14 Q16539 4/20 0.70
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
MAPT P10636 5/20 0.63
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54
PLA2G1B P04054 1/20 0.54
NFKB1 P19838 1/20 0.54
HTT P42858 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54

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
SCHEMBL5634557 0.91 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5634447 0.91 NPC1 (0.71) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5634706 0.90 RAB9A (0.57) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5633973 0.90 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5634621 0.89 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5634358 0.89 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5634748 0.86 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5634071 0.86 MAPK13 (0.76) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL5633639 0.85 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5633786 0.84 MAPK13 (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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100381429-C Thiazole derivatives HOFFMANN LA ROCHE (CH) 2008-04-16 CN disclosed
US-7253197-B2 Aminothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
CN-1675188-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 2005-09-28 CN 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 MAPK13 3018/4885MAPK12 2608/4885MAPK11 2347/4885

“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.