SCHEMBL5404422

SCHEMBL5404422

Cn1cc(CCn2c(SCCCC(=O)O)nc3ccccc32)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
SLC12A2 P55011 1/20 0.55
SLC12A5 Q9H2X9 1/20 0.55
PTGDR2 Q9Y5Y4 6/20 0.54
HCRTR1 O43613 1/20 0.53
MAPK1 P28482 1/20 0.53
CTSG P08311 1/20 0.53
CMA1 P23946 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PDPK1 O15530 1/20 0.52
AR P10275 1/20 0.52
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL5405060 0.92 CMA1 (0.60) KMT2ASLC12A2SLC12A5PTGDR2HCRTR1
SCHEMBL5622412 0.83 CTSG (0.57) KMT2APTGDR2HCRTR1CTSGCMA1
SCHEMBL5620546 0.82 CMA1 (0.54) KMT2ASLC12A2SLC12A5PTGDR2HCRTR1
SCHEMBL5622802 0.81 CTSG (0.71) KMT2APTGDR2HCRTR1CTSGCMA1
SCHEMBL5621193 0.80 CTSG (0.60) PTGDR2HCRTR1MAPK1CTSGCMA1
SCHEMBL14577952 0.80 PTGDR2 (0.67) PTGDR2CTSGCMA1L3MBTL1SMN1; SMN2
SCHEMBL5621097 0.80 CTSG (0.60) KMT2ASLC12A2SLC12A5PTGDR2HCRTR1
SCHEMBL4307028 0.78 SLC12A2 (0.67) KMT2ASLC12A2SLC12A5PTGDR2HCRTR1
SCHEMBL7027470 0.77 SLC12A2 (0.66) KMT2ASLC12A2SLC12A5PTGDR2HCRTR1
SCHEMBL7027475 0.77 SLC12A2 (0.66) KMT2ASLC12A2SLC12A5PTGDR2HCRTR1

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 5 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
EP-1249450-A1 BENZIMIDAZOLE DERIVATIVES TEIJIN LIMITED (JP) 2002-10-16 EP 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 KMT2A 1949/4885SLC12A2 2961/4885SLC12A5 3485/4885
US-20040010004-A1 Benzimidazole derivatives CMA1, CBR3, CBR1 KMT2A 1860/4885SLC12A2 2977/4885SLC12A5 3517/4885
US-20050267148-A1 Benzimidazole derivative CMA1, SERPINB1, TPSAB1 KMT2A 1893/4885SLC12A2 2094/4885SLC12A5 1743/4885

“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.