SCHEMBL21623957

SCHEMBL21623957

C[S+]([O-])c1cn(-c2ccc(Cl)nn2)cn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 2/20 0.35
BPTF Q12830 1/20 0.34
ALDH1A1 P00352 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL31556858 1.00 CYP1A2 (0.36) CYP1A2KMT2ABPTFALDH1A1CHRNB2
SCHEMBL21635934 0.83 SCD (0.34)
SCHEMBL23072001 0.77 CYP1A2 (0.44) CYP1A2KMT2ABPTFALDH1A1CHRNB2
SCHEMBL11181015 0.76 SCD (0.42) CYP1A2KMT2ABPTFCHRNB2CHRNA4
SCHEMBL23072027 0.72 CYP1A2 (0.38) CYP1A2KMT2ABPTFALDH1A1CHRNB2
SCHEMBL30252500 0.70 ALDH1A1 (0.35) CYP1A2KMT2AALDH1A1LMNA
SCHEMBL21623955 0.70 CYP1A2 (0.36) CYP1A2KMT2ABPTFALDH1A1CHRNB2
SCHEMBL31556854 0.70 CYP1A2 (0.36) CYP1A2KMT2ABPTFALDH1A1CHRNB2
SCHEMBL21623939 0.69 CYP1A2 (0.38) CYP1A2KMT2ABPTFALDH1A1CHRNB2
SCHEMBL15542949 0.69 CYP1A2 (0.38) CYP1A2KMT2ABPTFALDH1A1CHRNB2

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 3263/4885BPTF 2265/4885
US-20210147393-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES GABRA5, GABRB1, GABRA1 CYP1A2 157/4885KMT2A 3247/4885BPTF 2248/4885

“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.