SCHEMBL17699233

SCHEMBL17699233

O=Cc1cn(-c2ccc(F)cc2)nn1.OCc1cn(-c2ccc(F)cc2)nn1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
P2RX7 Q99572 2/20 0.53
MIF P14174 1/20 0.48

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
SCHEMBL17704937 0.88 NOTUM (0.70) NOTUMKDM4EMAPTL3MBTL1CA12
SCHEMBL14701726 0.87 P2RX7 (0.68) NOTUMCA12CA1CA2CA9
SCHEMBL30723667 0.74 NOTUM (0.72) NOTUMKDM4EMAPTL3MBTL1CA12
SCHEMBL19127484 0.74 MIF (0.55) NOTUMKDM4EMAPTL3MBTL1CA12
SCHEMBL17502287 0.72 NOTUM (1.00) NOTUMKDM4EMAPTL3MBTL1CA12
SCHEMBL20639902 0.72 NOTUM (0.70) NOTUMKDM4EMAPTL3MBTL1CA12
SCHEMBL19211396 0.72 NOTUM (1.00) NOTUMKDM4EMAPTL3MBTL1CA12
SCHEMBL13728552 0.72 NOTUM (0.70) NOTUMKDM4EMAPTL3MBTL1CA12
SCHEMBL31049690 0.72 NOTUM (0.70) NOTUMKDM4EMAPTL3MBTL1CA12
SCHEMBL28173683 0.72 RXRA (0.54) NOTUMKDM4EMAPTL3MBTL1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884848-B2 Phenyl triazole derivative and its use for modulating the GABAA receptor complex SANIONA A/S (DK) 2018-02-06 US disclosed
US-20170114045-A1 PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA AS (DK) 2017-04-27 US disclosed
US-9475797-B2 Phenyl triazole derivative and its use for modulating the GABAA receptor complex SANIONA A/S (DK) 2016-10-25 US disclosed
US-20160115155-A1 A PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA APS (DK) 2016-04-28 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 (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-20170114045-A1 PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRA5, GABRB3, GABRB1 NOTUM 4074/4885KDM4E 1830/4885MAPT 1089/4885
US-20160115155-A1 A PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRB3, GABRB1, GABRB2 NOTUM 4243/4885KDM4E 2237/4885MAPT 981/4885

“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.