SCHEMBL21623955

SCHEMBL21623955

CS(=O)(=O)c1cn(-c2ccc(Cl)nn2)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
BPTF Q12830 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
HSD11B1 P28845 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL31556854 1.00 CYP1A2 (0.36) CYP1A2KMT2AALDH1A1KDM4EBPTF
SCHEMBL23072001 0.77 CYP1A2 (0.44) CYP1A2KMT2AALDH1A1BPTFSMN1; SMN2
SCHEMBL11181015 0.76 SCD (0.42) CYP1A2KMT2AKDM4EBPTFSMN1; SMN2
SCHEMBL23072027 0.72 CYP1A2 (0.38) CYP1A2KMT2AALDH1A1KDM4EBPTF
SCHEMBL21623961 0.71 KDM4E (0.51) CYP1A2KMT2AALDH1A1KDM4EBPTF
SCHEMBL30252450 0.70 GAA (0.38) CYP1A2KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL427846 0.70 GAA (0.38) CYP1A2KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL21623957 0.70 CYP1A2 (0.36) CYP1A2KMT2AALDH1A1BPTFSMN1; SMN2
SCHEMBL24385543 0.70 ALDH1A1 (0.40) CYP1A2KMT2AALDH1A1KDM4EBPTF
SCHEMBL31556858 0.70 CYP1A2 (0.36) CYP1A2KMT2AALDH1A1BPTFSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CYP1A2 164/4885KMT2A 3263/4885ALDH1A1 315/4885
US-20210147393-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES GABRA5, GABRB1, GABRA1 CYP1A2 157/4885KMT2A 3247/4885ALDH1A1 308/4885

“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.