SCHEMBL3221158

SCHEMBL3221158

CN(C)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.56
▸ HSD17B10 Q99714 5/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ RECQL P46063 2/20 0.56
▸ HPGD P15428 4/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ TTR P02766 2/20 0.45
▸ CASP1 P29466 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ THRB P10828 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ SLC22A2 O15244 1/20 0.45
▸ SLC22A1 O15245 1/20 0.45
▸ NR1I2 O75469 1/20 0.45
▸ SLC22A3 O75751 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ LMNA P02545 1/20 0.45

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
Methyl Alcohol SCHEMBL28184301 0.75 HSD17B10 (0.88) TSHRHSD17B10ALDH1A1CYP3A4RECQL
SCHEMBL184648 0.74 HSD17B10 (1.00) TSHRHSD17B10ALDH1A1CYP3A4RECQL
SCHEMBL8872103 0.74 HSD17B10 (1.00) TSHRHSD17B10ALDH1A1CYP3A4RECQL
SCHEMBL11291920 0.72 HSD17B10 (0.93) TSHRHSD17B10ALDH1A1CYP3A4RECQL
SCHEMBL28244966 0.72 HSD17B10 (0.93) TSHRHSD17B10ALDH1A1CYP3A4RECQL
SCHEMBL2808115 0.72 HSD17B10 (0.93) TSHRHSD17B10ALDH1A1CYP3A4RECQL
SCHEMBL20380030 0.72 HSD17B10 (0.93) TSHRHSD17B10ALDH1A1CYP3A4RECQL
SCHEMBL29827111 0.72 HSD17B10 (0.93) TSHRHSD17B10ALDH1A1CYP3A4RECQL
Dimethylformamide SCHEMBL9176683 0.71 TSHR (0.61) TSHRHSD17B10ALDH1A1CYP3A4RECQL
SCHEMBL26281346 0.70 KMT2A (0.41) TSHRALDH1A1CYP3A4RECQLKMT2A

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 3 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

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.

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