SCHEMBL5472178

SCHEMBL5472178

Cc1ccc(C)c(Cn2c(S)nc3cccnc32)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
TNF P01375 1/20 0.48
MAPT P10636 2/20 0.45
TP53 P04637 3/20 0.43
NPC1 O15118 1/20 0.41
AKT1 P31749 1/20 0.40
LMNA P02545 1/20 0.40
BRD4 O60885 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL19771396 0.81 TP53 (0.51) MAPTTP53LMNABRD4
SCHEMBL18149518 0.77 TSHR (0.55) TSHRTNFMAPTTP53NPC1
SCHEMBL18149149 0.75 TP53 (0.61) TSHRTNFTP53LMNASMN1; SMN2
SCHEMBL5487635 0.74 HTT (0.45) TSHRMAPTTP53AKT1LMNA
SCHEMBL4452678 0.73 CTSG (0.49) MAPTTP53ALDH1A1
SCHEMBL9701321 0.71 TBXA2R (0.53) TNFMAPTTP53LMNA
SCHEMBL21049186 0.69 MAPT (0.43) MAPTAKT1PDE10A
SCHEMBL23954466 0.69 TLR8 (0.44) MAPTTP53PDE10AALDH1A1
SCHEMBL16756305 0.67 TSHR (0.62) TSHRTNFMAPTTP53NPC1
SCHEMBL11011805 0.66 RAB9A (0.46) TSHRMAPTNPC1LMNASMN1; 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-20070275995-A1 Thiobenzimidazole derivatives TEIJIN PHARMA LIMITED 2007-11-29 US disclosed
US-7268145-B2 Thiobenzimidazole derivatives TEIJIN PHARMA LIMITED (JP) 2007-09-11 US disclosed
US-20060040976-A1 Thiobenzimidazole derivatives TEIJIN LIMITED 2006-02-23 US disclosed
US-20050267148-A1 Benzimidazole derivative TEIJIN LIMITED 2005-12-01 US disclosed
EP-1097926-A1 THIOBENZIMIDAZOLE DERIVATIVES TEIJIN LIMITED (JP) 2001-05-09 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-20070275995-A1 Thiobenzimidazole derivatives CMA1, SERPINB1, TMPRSS15 TSHR 1400/4885TNF 2494/4885MAPT 4292/4885
US-20060040976-A1 Thiobenzimidazole derivatives CMA1, SERPINB1, TMPRSS15 TSHR 1400/4885TNF 2494/4885MAPT 4292/4885
US-20050267148-A1 Benzimidazole derivative CMA1, SERPINB1, TPSAB1 TSHR 2649/4885TNF 3388/4885MAPT 4269/4885

“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.