SCHEMBL5399296

SCHEMBL5399296

CCOC(=O)CCCSc1nc2ccc(OC)cc2n1Cc1csc2ccc(C)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.47
CTSG P08311 1/20 0.45
CMA1 P23946 1/20 0.45
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
GLA P06280 1/20 0.42
AR P10275 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MTNR1A P48039 3/20 0.38
MTNR1B P49286 2/20 0.37
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5398200 0.94 PTGDR2 (0.47) PTGDR2CTSGCMA1HPGDALDH1A1
SCHEMBL5404405 0.91 CTSG (0.55) PTGDR2CTSGCMA1HPGDKDM4E
SCHEMBL5398813 0.85 CTSG (0.64) PTGDR2CTSGCMA1HPGDALDH1A1
SCHEMBL5391940 0.85 PTGDR2 (0.51) PTGDR2CTSGCMA1HPGDALDH1A1
SCHEMBL5396779 0.85 CTSG (0.55) PTGDR2CTSGCMA1HPGDALDH1A1
SCHEMBL5393922 0.79 CTSG (0.64) PTGDR2CTSGCMA1HPGDALDH1A1
SCHEMBL5623074 0.79 CTSG (0.59) PTGDR2CTSGCMA1GAATP53
SCHEMBL5621033 0.79 CTSG (0.71) PTGDR2CTSGCMA1ARMEN1
SCHEMBL5787011 0.77 CMA1 (0.66) PTGDR2CTSGCMA1ARMEN1
SCHEMBL5395160 0.76 CTSG (0.77) PTGDR2CTSGCMA1KDM4EMAPT

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-7176320-B2 Benzimidazole derivative TEIJIN LIMITED (JP) 2007-02-13 US disclosed
US-20050267148-A1 Benzimidazole derivative TEIJIN LIMITED 2005-12-01 US disclosed
US-20040162311-A1 Benzimidazole derivative TEIJIN LIMITED 2004-08-19 US disclosed
US-20040010004-A1 Benzimidazole derivatives TEIJIN LIMITED (JP) 2004-01-15 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 (3 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-20040162311-A1 Benzimidazole derivative CMA1, CBR3, CBR1 PTGDR2 4564/4885CTSG 486/4885CMA1 1/4885
US-20040010004-A1 Benzimidazole derivatives CMA1, CBR3, CBR1 PTGDR2 4572/4885CTSG 447/4885CMA1 1/4885
US-20050267148-A1 Benzimidazole derivative CMA1, SERPINB1, TPSAB1 PTGDR2 3468/4885CTSG 184/4885CMA1 1/4885

“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.