SCHEMBL5398772

SCHEMBL5398772

Cc1ccc(NCc2ccccc2SCc2ccccc2)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.53
POLB P06746 1/20 0.49
SLC6A4 P31645 10/20 0.47
SLC6A2 P23975 8/20 0.47
SLC6A3 Q01959 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL28010069 0.80 POLB (0.65) HDAC6POLBSLC6A4SLC6A2SLC6A3
SCHEMBL1040774 0.80 HDAC6 (0.68) HDAC6POLBSLC6A4SMN1; SMN2MAPT
SCHEMBL29353516 0.80 HDAC6 (0.68) HDAC6POLBSLC6A4SMN1; SMN2MAPT
SCHEMBL5476110 0.73 MEN1 (0.54) HDAC6SLC6A4SMN1; SMN2MAPTGAA
SCHEMBL29351335 0.70 HDAC6 (1.00) HDAC6POLBSLC6A4SMN1; SMN2MAPT
SCHEMBL1424836 0.70 HDAC6 (1.00) HDAC6POLBSLC6A4SMN1; SMN2MAPT
SCHEMBL811058 0.69 HDAC6 (0.53) HDAC6SMN1; SMN2MAPTGAAKMT2A
SCHEMBL8378911 0.69 POLB (0.71) HDAC6POLBSLC6A4SLC6A2SLC6A3
SCHEMBL31645023 0.69 POLB (0.43) POLBSLC6A4SLC6A2SLC6A3SMN1; SMN2
SCHEMBL31645083 0.69 POLB (0.43) POLBSLC6A4SLC6A2SLC6A3SMN1; SMN2

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 HDAC6 87/4885POLB 2733/4885SLC6A4 1932/4885
US-20040010004-A1 Benzimidazole derivatives CMA1, CBR3, CBR1 HDAC6 83/4885POLB 2792/4885SLC6A4 1888/4885
US-20050267148-A1 Benzimidazole derivative CMA1, SERPINB1, TPSAB1 HDAC6 89/4885POLB 2302/4885SLC6A4 1230/4885

“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.