SCHEMBL3210076

SCHEMBL3210076

CN(C)c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.50
HSD17B10 Q99714 7/20 0.50
ALDH1A1 P00352 4/20 0.50
TTR P02766 3/20 0.50
CYP3A4 P08684 3/20 0.50
RECQL P46063 3/20 0.50
THRB P10828 3/20 0.46
ALOX15 P16050 4/20 0.44
ALOX12 P18054 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HIF1A Q16665 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 4/20 0.40
MAPK1 P28482 3/20 0.40
NR1H4 Q96RI1 2/20 0.39
CASP1 P29466 2/20 0.38
NQO2 P16083 1/20 0.36
SPR P35270 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
SCHEMBL28151908 0.78 TSHR (0.50) TSHRHSD17B10ALDH1A1CYP3A4ALOX15
SCHEMBL13032567 0.76 TSHR (0.44) TSHRHSD17B10ALDH1A1CYP3A4ALOX15
SCHEMBL11506834 0.74 ALDH1A1 (0.50) TSHRHSD17B10ALDH1A1CYP3A4RECQL
SCHEMBL699157 0.73 HSD17B10 (0.39) TSHRHSD17B10ALDH1A1TTRCYP3A4
SCHEMBL3212678 0.73 HSD17B10 (0.50) TSHRHSD17B10ALDH1A1RECQLTHRB
SCHEMBL12986726 0.72 TSHR (0.36) TSHRHSD17B10ALDH1A1ALOX15SMN1; SMN2
SCHEMBL487689 0.70 TSHR (0.41) TSHRHSD17B10ALDH1A1ALOX15HIF1A
SCHEMBL8441404 0.70 TTR (0.52) TSHRHSD17B10ALDH1A1TTRALOX15
SCHEMBL6798216 0.70 TSHR (0.46) TSHRHSD17B10ALDH1A1CYP3A4RECQL
SCHEMBL1760716 0.69 TSHR (0.57) TSHRHSD17B10ALDH1A1CYP3A4ALOX15

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-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
EP-2088861-A2 BENZIMIDAZOLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 EP disclosed
WO-2008051533-A2 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed
US-5858695-A SUBJECTING BILIRUBIN TO COEXIST WITH ASCORBATE OXIDASE AND A REACTION PROMOTER IN AQUEOUS MEDIUM TO THEREBY OXIDIZE THE BILIRUBIN, MEASURING THE CHANGE IN ABSORBANCE KYOWA MEDEX CO., LTD. (JP) 1999-01-12 US disclosed
EP-0770688-A1 Method of quantitative determination of bilirubin and a reagent therefor KYOWA MEDEX CO., LTD. (JP) 1997-05-02 EP disclosed
EP-0325472-A2 Composition for testing periodontal diseases SUNSTAR KABUSHIKI KAISHA (JP) 1989-07-26 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 (1 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-20100056515-A1 BENZIMIDAZOLE COMPOUNDS HRH4, SSTR5, CNR1 TSHR 168/4885HSD17B10 1266/4885ALDH1A1 1562/4885

“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.