SCHEMBL1101910

SCHEMBL1101910

COc1ccc2[nH]c(SC)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 15/20 0.54
CYP2E1 P05181 14/20 0.54
CYP2C8 P10632 14/20 0.54
CYP2D6 P10635 14/20 0.54
CYP2C9 P11712 14/20 0.54
CYP2B6 P20813 14/20 0.54
CYP1A2 P05177 14/20 0.54
CYP3A4 P08684 13/20 0.54
BRS3 P32247 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47

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
SCHEMBL7672276 0.87 CYP2E1 (0.70) CYP2C19CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL14495707 0.85 CYP2C19 (0.52) CYP2C19CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL13651209 0.83 CYP2E1 (0.78) CYP2C19CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL22668144 0.83 CYP2E1 (0.53) CYP2C19CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL1170729 0.82 ALDH1A1 (0.57) CYP2C19CYP1A2SMN1; SMN2ALDH1A1HPGD
SCHEMBL14496038 0.81 CYP1A2 (0.46) CYP2C19CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL15693611 0.79 RAB9A (0.76) CYP2C19CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL1286065 0.77 KDM4E (0.57) CYP2C19CYP1A2SMN1; SMN2ALDH1A1HPGD
SCHEMBL31578181 0.77 ALDH1A1 (0.50) CYP2C19CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL4597359 0.77 ALDH1A1 (0.53) CYP2C19CYP2E1CYP2C8CYP2D6CYP2C9

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220016099-A1 BENZIMIDAZOLE OR BENZOXAZOLE DERIVATIVES FOR PREVENTING AND TREATING CENTRAL NERVOUS SYSTEM DISEASE, DIABETES, AND COMPLICATIONS THEREOF TRINUERO (KR) 2022-01-20 US claimed
WO-2020116742-A1 BENZIMIDAZOLE OR BENZOXAZOLE DERIVATIVES FOR PREVENTING AND TREATING CENTRAL NERVOUS SYSTEM DISEASE, DIABETES, AND COMPLICATIONS THEREOF 주식회사 트리뉴로 2020-06-11 WO claimed
US-20220016099-A1 BENZIMIDAZOLE OR BENZOXAZOLE DERIVATIVES FOR PREVENTING AND TREATING CENTRAL NERVOUS SYSTEM DISEASE, DIABETES, AND COMPLICATIONS THEREOF TRINUERO (KR) 2022-01-20 US disclosed
CN-110573605-B Slow rhizobium monooxygenase and application thereof in preparation of chiral sulfoxide 华东理工大学 2021-11-19 CN disclosed
US-10787651-B2 Bradyrhizobium monooxygenase and use thereof for preparation of chiral sulfoxide JIANGSU AOSAIKANG PHARMACEUTICAL CO., LTD. (CN) 2020-09-29 US disclosed
US-10787651-B2 Bradyrhizobium monooxygenase and use thereof for preparation of chiral sulfoxide JIANGSU AOSAIKANG PHARMACEUTICAL CO., LTD. (CN) 2020-09-29 US disclosed
WO-2020116742-A1 BENZIMIDAZOLE OR BENZOXAZOLE DERIVATIVES FOR PREVENTING AND TREATING CENTRAL NERVOUS SYSTEM DISEASE, DIABETES, AND COMPLICATIONS THEREOF 주식회사 트리뉴로 2020-06-11 WO disclosed
US-20200140830-A1 BRADYRHIZOBIUM MONOOXYGENASE AND USE THEREOF FOR PREPARATION OF CHIRAL SULFOXIDE JIANGSU AOSAIKANG PHARMACEUTICAL CO., LTD. (CN) 2020-05-07 US disclosed
US-20200140830-A1 BRADYRHIZOBIUM MONOOXYGENASE AND USE THEREOF FOR PREPARATION OF CHIRAL SULFOXIDE JIANGSU AOSAIKANG PHARMACEUTICAL CO., LTD. (CN) 2020-05-07 US disclosed
CN-110573605-A Slow rhizobium monooxygenase and application thereof in preparation of chiral sulfoxide 华东理工大学 2019-12-13 CN disclosed
WO-2019169695-A1 BRADYRHIZOBIUM MONOOXYGENASE AND APPLICATION THEREOF IN PREPARATION OF CHIRAL SULFOXIDE 华东理工大学 2019-09-12 WO disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
EP-0931790-B1 Method for producing 2-sulfonylpyridine derivates and method for producing 2-( (2-pyridyl)methyl)thio)-1H-benzimidazole derivates KURARAY CO (JP) 2003-05-14 EP disclosed
US-6350876-B2 REACTING SULFONYL CYANIDE DERIVATIVE WITH ALPHA,BETA-UNSAT-URATED CARBONYL COMPOUND; ORGANOLITHIUM COMPOUND; STARTING MATERIAL/INTERMEDIATE FOR DRUG SYNTHESIS (ANTI-PARKINSON'S DRUG LAZABEMIDE) AND AGRICULTURAL CHEMICALS (PESTICIDES) KURARAY CO., LTD. (JP) 2002-02-26 US disclosed
US-20010051726-A1 Method for producing 2-sulfonylpyridine derivatives and method for producing 2- { [ (2-pyridyl) methyl] thio} -1H-benzimidazole derivatives KURARAY CO., LTD. (JP) 2001-12-13 US disclosed
US-6197962-B1 REACTING A,B-UNSATURATED CARBONYL COMPOUND WITH A SULFONYL CYANIDE; CYCLIZATION KURARAY CO., LTD. (JP) 2001-03-06 US disclosed
EP-0931790-A2 Method for producing 2-sulfonylpyridine derivates and method for producing 2-( (2-pyridyl)methyl)thio)-1H-benzimidazole derivates KURARAY CO., LTD. (JP) 1999-07-28 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-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 CYP2C19 4313/4885CYP2E1 4653/4885CYP2C8 4126/4885
US-20010051726-A1 Method for producing 2-sulfonylpyridine derivatives and method for producing 2- { [ (2-pyridyl) methyl] thio} -1H-benzimidazole derivatives PDXK, KCNJ2, KCNJ1 CYP2C19 1175/4885CYP2E1 417/4885CYP2C8 1591/4885
US-20220016099-A1 BENZIMIDAZOLE OR BENZOXAZOLE DERIVATIVES FOR PREVENTING AND TREATING CENTRAL NERVOUS SYSTEM DISEASE, DIABETES, AND COMPLICATIONS THEREOF KEAP1, SLC5A1, GCLC CYP2C19 1226/4885CYP2E1 287/4885CYP2C8 1313/4885

“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.