SCHEMBL5480295

SCHEMBL5480295

COC(=O)c1ccccc1C[S+]([O-])c1nc2cc(C)c(C)cc2n1Cc1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.40
MAPK9 P45984 3/20 0.40
MAPK10 P53779 3/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.37
PIK3C2B O00750 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CMA1 P23946 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
SCHEMBL5483053 0.80 PTGDR2 (0.56) MAPK8MAPK9MAPK10MAPTKDM4E
SCHEMBL5471805 0.70 PTGDR2 (0.58) MAPTKDM4EPOLBSMN1; SMN2NPSR1
SCHEMBL6690168 0.67 MAPK8 (0.53) MAPK8MAPK9MAPK10MAPTKDM4E
SCHEMBL22955905 0.67 ACSS2 (0.49) MAPTKDM4ELMNAHTTRAB9A
SCHEMBL6896629 0.67 MAPK8 (0.47) MAPK8MAPK9MAPK10MAPTKDM4E
SCHEMBL4447523 0.67 KDM4E (0.50) MAPTKDM4ELMNAHTTPOLB
SCHEMBL5472706 0.66 PTGDR2 (0.60) MAPTKDM4ELMNAUSP2TSHR
SCHEMBL2650422 0.66 ALDH1A1 (0.53) MAPK10MAPTKDM4ELMNAHTT
SCHEMBL3276766 0.66 MAPT (0.64) MAPTHTTSMN1; SMN2TSHRTP53
SCHEMBL4452536 0.66 CMA1 (0.56) MAPTKDM4ELMNAHTTPOLB

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 MAPK8 2365/4885MAPK9 1515/4885MAPK10 2703/4885
US-20060040976-A1 Thiobenzimidazole derivatives CMA1, SERPINB1, TMPRSS15 MAPK8 2365/4885MAPK9 1515/4885MAPK10 2703/4885
US-20050267148-A1 Benzimidazole derivative CMA1, SERPINB1, TPSAB1 MAPK8 2642/4885MAPK9 1782/4885MAPK10 3022/4885

“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.