SCHEMBL21623945

SCHEMBL21623945

CCOC(=O)c1c(C)nnn1-c1ccc(C(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 7/20 0.47
SLC5A2 P31639 7/20 0.47
TP53 P04637 1/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
PDE4D Q08499 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL25044749 0.85 SLC5A1 (0.46) SLC5A1SLC5A2TP53ALOX12SMN1; SMN2
SCHEMBL25044743 0.85 SLC5A1 (0.57) SLC5A1SLC5A2TP53ALOX12SMN1; SMN2
SCHEMBL25043826 0.85 SMN1; SMN2 (0.48) SLC5A1SLC5A2TP53ALOX12SMN1; SMN2
SCHEMBL15897976 0.84 CA12 (0.53) SLC5A1SLC5A2TP53ALOX12SMN1; SMN2
SCHEMBL25044704 0.83 SLC5A1 (0.42) SLC5A1SLC5A2TP53ALOX12SMN1; SMN2
SCHEMBL14710979 0.83 SLC5A1 (0.59) SLC5A1SLC5A2TP53ALOX12SMN1; SMN2
SCHEMBL25045387 0.83 KMT2A (0.56) SLC5A1SLC5A2TP53ALOX12SMN1; SMN2
SCHEMBL30282905 0.83 TP53 (0.49) SLC5A1SLC5A2TP53ALOX12SMN1; SMN2
SCHEMBL20028111 0.82 TP53 (0.66) SLC5A1SLC5A2TP53ALOX12SMN1; SMN2
SCHEMBL31297182 0.82 HTT (0.41) SLC5A1SLC5A2TP53ALOX12KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112424197-B Difluoromethyl-phenyltriazoles as modulators of GABA receptors 勃林格殷格翰国际公司 2025-04-22 CN disclosed
CN-115703765-B Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2025-02-28 CN disclosed
WO-2024251133-A1 HETEROCYCLIC COMPOUND AS α5-GABAA RECEPTOR MODULATOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2024-12-12 WO disclosed
CN-119080754-A As alpha 5-GABAAHeterocyclic compounds of receptor modulators and uses thereof 武汉人福创新药物研发中心有限公司 2024-12-06 CN disclosed
CN-115703765-A Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2023-02-17 CN disclosed
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 WO disclosed
EP-3823967-B1 DIFLUOROMETHYL-PHENYL TRIAZOLES AS GABA RECEPTOR MODULATORS BOEHRINGER INGELHEIM INT (DE) 2022-08-31 EP disclosed
EP-3823967-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES AS GABA RECEPTOR MODULATORS Boehringer Ingelheim International GmbH (DE) 2021-05-26 EP disclosed
US-20210147393-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-05-20 US disclosed
US-20210147393-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-05-20 US disclosed
US-10941137-B2 Difluoromethyl-phenyl triazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-09 US disclosed
US-10941137-B2 Difluoromethyl-phenyl triazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-09 US disclosed
CN-112424197-A Difluoromethyl-phenyl triazoles as GABA receptor modulators 勃林格殷格翰国际公司 2021-02-26 CN disclosed
WO-2020016443-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES AS GABA RECEPTOR MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-01-23 WO disclosed
WO-2020016443-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES AS GABA RECEPTOR MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-01-23 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-10941137-B2 Difluoromethyl-phenyl triazoles GABRA5, GABRB1, GABRA1 SLC5A1 658/4885SLC5A2 1304/4885TP53 4833/4885
US-20210147393-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES GABRA5, GABRB1, GABRA1 SLC5A1 549/4885SLC5A2 1240/4885TP53 4838/4885

“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.