SCHEMBL787846

SCHEMBL787846

Cc1csc2c(Cl)cccc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.42
CYP1A2 P05177 6/20 0.42
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.35
NR4A2 P43354 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MIF P14174 1/20 0.34
CYP17A1 P05093 1/20 0.33
PARP1 P09874 1/20 0.33
GAA P10253 1/20 0.33
PSMB8 P28062 1/20 0.32
KCNA3 P22001 1/20 0.31

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
SCHEMBL29908309 1.00 CYP2A6 (0.42) CYP2A6CYP1A2KMT2AMCL1NR4A2
SCHEMBL8404365 0.80 CYP1A2 (0.48) CYP2A6CYP1A2ALDH1A1CYP17A1GAA
SCHEMBL30640459 0.75 ALDH1A1 (0.39) CYP2A6CYP1A2ALDH1A1CYP17A1PSMB8
SCHEMBL2090970 0.75 CYP2A6 (0.37) CYP2A6CYP1A2ALDH1A1CYP17A1KCNA3
SCHEMBL10691719 0.75 CYP2A6 (0.42) CYP2A6CYP1A2KMT2AALDH1A1CYP17A1
SCHEMBL9350163 0.75 ALDH1A1 (0.42) CYP2A6CYP1A2KMT2ANR4A2ALDH1A1
SCHEMBL10832904 0.75 TRPA1 (0.41) CYP2A6CYP1A2KMT2AALDH1A1CYP17A1
SCHEMBL288465 0.75 ACHE (0.39) CYP2A6CYP1A2ALDH1A1MIFCYP17A1
SCHEMBL2091920 0.75 ALDH1A1 (0.39) CYP2A6CYP1A2ALDH1A1CYP17A1PSMB8
SCHEMBL25012755 0.75 CYP1A2 (0.42) CYP2A6CYP1A2NR4A2MIFPSMB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113651796-A Preparation method of sertaconazole nitrate intermediate 海南海神同洲制药有限公司 2021-11-16 CN disclosed
WO-2020081572-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 WO disclosed
EP-2616450-B1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2018-05-02 EP disclosed
EP-2616450-B1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2018-05-02 EP disclosed
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 US disclosed
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 US disclosed
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 US disclosed
EP-2616450-A2 SULFONAMIDE COMPOUNDS Kancera AB (SE) 2013-07-24 EP disclosed
US-20130172339-A1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2013-07-04 US disclosed
US-20130172339-A1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2013-07-04 US disclosed
EP-1362854-B1 Benzo[b[thiophene derivatives and process for producing the same TEIJIN PHARMA LTD (JP) 2007-10-31 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1597248-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-11-23 EP disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
WO-2004073606-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-09-02 WO disclosed
US-4579865-A ANTIISCHEMIC, HYPOGLYCEMIC AGENTS USV PHARMACEUTICAL CORP. (US) 1986-04-01 US 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CYP2A6 1119/4885CYP1A2 659/4885KMT2A 4267/4885
US-20060217433-A1 Sulfonamide derivatives as ppar modulators PPARD, PPARA, PPARG CYP2A6 345/4885CYP1A2 418/4885KMT2A 2003/4885
US-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA CYP2A6 496/4885CYP1A2 335/4885KMT2A 1232/4885

“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.