SCHEMBL487357

SCHEMBL487357

CC(C)Nc1cccc(S)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
RECQL P46063 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KCNH3 Q9ULD8 8/20 0.41
POLB P06746 1/20 0.38
ALDH3A1 P30838 1/20 0.35
CTSK P43235 1/20 0.33
FLT3 P36888 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32

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
SCHEMBL9313156 0.84 TDP1 (0.67) TDP1ALDH1A1LMNACYP3A4THRB
SCHEMBL22648059 0.78 TDP1 (0.54) TDP1ALDH1A1LMNACYP3A4THRB
SCHEMBL632551 0.76 TDP1 (0.56) TDP1ALDH1A1LMNACYP3A4THRB
SCHEMBL31174454 0.76 TDP1 (0.56) TDP1ALDH1A1LMNACYP3A4THRB
SCHEMBL9312188 0.76 TDP1 (0.56) TDP1ALDH1A1LMNACYP3A4THRB
SCHEMBL4974177 0.75
SCHEMBL7473537 0.74 CA1 (0.55) TDP1ALDH1A1LMNACYP3A4THRB
SCHEMBL8359919 0.74 TDP1 (0.54) TDP1ALDH1A1LMNACYP3A4THRB
SCHEMBL7738343 0.74 TDP1 (0.54) TDP1ALDH1A1LMNACYP3A4THRB
SCHEMBL632883 0.74 CA12 (0.55) TDP1ALDH1A1LMNACYP3A4THRB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106079-B2 Intermediate of 6-substituted-1-methyl-1-H-benzimidazole derivative and method for producing same SANKYO COMPANY, LIMITED (JP) 2012-01-31 US disclosed
US-7816552-B2 Intermediate of 6-substituted 1-methyl-1-H-benzimidazole derivative and method for producing same SANKYO COMPANY, LIMITED (JP) 2010-10-19 US disclosed
US-20100234612-A1 Intermediate of 6-substituted-1-methyl-1-H-benzimidazole derivative and method for producing same SANKYO COMPANY, LIMITED (JP) 2010-09-16 US disclosed
US-20090023929-A1 Intermediate of 6-Substituted 1-Methyl-1-H-Benzimidazole Derivative and Method for Producing Same SANKYO COMPANY, LIMITED (JP) 2009-01-22 US disclosed
CN-101068770-A Process for producing 6-substituted-1-methyl-1-H-benzimidazole derivative and synthetic intermediate therefor SANKYO CO (JP) 2007-11-07 CN disclosed
EP-1798216-A1 INTERMEDIATE OF 6-SUBSTITUTED-1-METHYL-1-H-BENZIMIDAZOLE DERIVATIVE AND METHOD FOR PRODUCING SAME Sankyo Company, Limited (JP) 2007-06-20 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 (2 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-20090023929-A1 Intermediate of 6-Substituted 1-Methyl-1-H-Benzimidazole Derivative and Method for Producing Same AZI2, CYC1, CCNI TDP1 2994/4885ALDH1A1 928/4885LMNA 1690/4885
US-20100234612-A1 Intermediate of 6-substituted-1-methyl-1-H-benzimidazole derivative and method for producing same CYC1, CYP2B6, COX6B1 TDP1 3676/4885ALDH1A1 668/4885LMNA 3284/4885

“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.