SCHEMBL1399693

SCHEMBL1399693

S=C=Nc1cccc(OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.53
ALOX5 P09917 1/20 0.51
BCHE P06276 3/20 0.50
LCK P06239 1/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
MAOA P21397 1/20 0.49
NR4A2 P43354 1/20 0.49
MIF P14174 1/20 0.48
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
FFAR1 O14842 1/20 0.46

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
SCHEMBL1333722 0.84 MAOB (0.56) MAOBALOX5BCHECYP4F2CYP4A11
SCHEMBL1022419 0.83 CYP1A2 (0.56) MAOBALOX5BCHEMAOANR4A2
SCHEMBL13667836 0.82 MAOB (0.57) MAOBALOX5BCHELCKCYP4F2
SCHEMBL15902884 0.82 MRGPRX4 (0.46) MAOBALOX5BCHEMAOAMIF
SCHEMBL23838435 0.79 MAOB (0.57) MAOBALOX5BCHELCKCYP4F2
SCHEMBL3085833 0.79 CYP3A4 (0.49) MIFLMNACYP1A2CYP2C19
SCHEMBL2893673 0.78 MIF (0.57) MAOBMAOAMIF
SCHEMBL1268719 0.77 MAOB (0.81) MAOBALOX5BCHELCKCYP4F2
SCHEMBL13913434 0.76 MAOB (0.50) MAOBALOX5BCHELCKCYP4F2
SCHEMBL9301346 0.76 CYSLTR1 (0.60) ALOX5CYP1A2CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4701635-A1 1,2,4-TRIAZOLE-3-THIONE INHIBITORS OF TREX2 FOR USE IN THE TREATMENT OF PSORIASIS, ATOPIC DERMATITIS OR ICHTHYOSIS Universitat De Barcelona (ES) 2026-03-04 EP disclosed
WO-2024223907-A1 1,2,4-TRIAZOLE-3-THIONE INHIBITORS OF TREX2 FOR USE IN THE TREATMENT OF PSORIASIS, ATOPIC DERMATITIS OR ICHTHYOSIS UNIVERSITAT DE BARCELONA (ES) 2024-10-31 WO disclosed
CN-114540846-B Synthesis method of 1,2, 4-triazolo six-membered nitrogen heterocycle-3-amine 五邑大学 2023-09-19 CN disclosed
CN-114540846-A Synthetic method of 1,2, 4-triazolo hexa-nitrogen heterocyclic-3-amine 五邑大学 2022-05-27 CN disclosed
EP-2035417-B1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2011-03-02 EP disclosed
US-7718671-B2 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET (FR) 2009-10-29 US disclosed
EP-2035417-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES AstraZeneca AB (SE) 2009-03-18 EP disclosed
WO-2007141517-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
EP-1648862-A2 SUBSTITUTED ARYLTHIOUREA DERIVATIVES USEFUL AS INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2006-04-26 EP disclosed
US-20050032849-A1 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-02-10 US disclosed
WO-2005007601-A2 SUBSTITUTED ARYLTHIOUREA DERIVATIVES USEFUL AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-01-27 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 (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-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS MC4R, MC3R, MC1R MAOB 1367/4885ALOX5 3405/4885BCHE 3334/4885
US-20050032849-A1 Substituted arylthiourea derivatives useful as inhibitors of viral replication TPMT, NAT1, GOT1 MAOB 1380/4885ALOX5 3700/4885BCHE 2692/4885

“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.