SCHEMBL17699229

SCHEMBL17699229

OCc1c(C(F)F)nnn1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA4 P22748 3/20 0.40
CA9 Q16790 3/20 0.40
PTGS2 P35354 2/20 0.40
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
NOTUM Q6P988 1/20 0.35
PIM1 P11309 2/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 2/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL9730089 0.86 ALDH1A1 (0.43) ALDH1A1CA1CA2CA4CA9
SCHEMBL2683661 0.78 PTGS2 (0.49) ALDH1A1CA1CA2CA4CA9
SCHEMBL25045280 0.75 ALDH1A1 (0.44) ALDH1A1CA1CA2CA4CA9
SCHEMBL15542606 0.72 GABRA5 (0.43) ALDH1A1CA1CA2CA4CA9
SCHEMBL9730918 0.71 PTGS2 (0.39) ALDH1A1CA1CA2CA4CA9
SCHEMBL21623953 0.71 ALDH1A1 (0.43) ALDH1A1CA1CA2CA4CA9
SCHEMBL25044736 0.69 CYP1A2 (0.42) ALDH1A1CYP1A2NOTUMMAPTGABRB3
SCHEMBL28974765 0.69 ALDH1A1 (0.41) ALDH1A1CYP1A2NOTUM
SCHEMBL13754473 0.68 NOTUM (0.71) ALDH1A1CA1CA2CA4CA9
SCHEMBL25045351 0.67 ALDH1A1 (0.39) ALDH1A1CYP1A2NOTUM

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
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-9884848-B2 Phenyl triazole derivative and its use for modulating the GABAA receptor complex SANIONA A/S (DK) 2018-02-06 US disclosed
US-9884848-B2 Phenyl triazole derivative and its use for modulating the GABAA receptor complex SANIONA A/S (DK) 2018-02-06 US disclosed
EP-2885290-B1 A PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA AS (DK) 2017-10-18 EP disclosed
EP-2885290-B1 A PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA AS (DK) 2017-10-18 EP 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-20170114045-A1 PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA AS (DK) 2017-04-27 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-9475797-B2 Phenyl triazole derivative and its use for modulating the GABAA receptor complex SANIONA A/S (DK) 2016-10-25 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
US-20160115155-A1 A PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA APS (DK) 2016-04-28 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
CN-104411703-A A phenyl triazole derivative and its use for modulating the gabaa receptor complex ANIONA APS 2015-03-11 CN 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 ALDH1A1 1165/4885CA1 3598/4885CA2 2855/4885
US-20160115155-A1 A PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRB3, GABRB1, GABRB2 ALDH1A1 1174/4885CA1 3251/4885CA2 2511/4885

“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.