SCHEMBL2108715

SCHEMBL2108715

Fc1cc(-c2n[c]on2)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
S1PR1 P21453 3/20 0.34
S1PR3 Q99500 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PGR P06401 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
PTGS1 P23219 1/20 0.32
MAPT P10636 1/20 0.31
HDAC3 O15379 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
SCHEMBL28710960 0.84 GRM5 (0.33)
SCHEMBL5552048 0.76 S1PR1 (0.45) S1PR1S1PR3POLB
SCHEMBL3806659 0.71 RXRA (0.39) RXRARXRBRXRGS1PR1S1PR3
SCHEMBL22044470 0.70 RXRA (0.41) RXRARXRBRXRGS1PR1S1PR3
SCHEMBL28945032 0.70 AR (0.43) S1PR1
SCHEMBL27849577 0.69 RXRA (0.37) RXRARXRBRXRGS1PR1S1PR3
SCHEMBL2107246 0.68 S1PR1 (0.37) RXRARXRBRXRGS1PR1S1PR3
SCHEMBL4251651 0.67 S1PR1 (0.43) S1PR1S1PR3MEN1KMT2ACYP1A2
SCHEMBL4251653 0.67 MAPT (0.45) S1PR1S1PR3MEN1KMT2ACYP1A2
SCHEMBL28713706 0.66 CHRNB2 (0.38) S1PR1S1PR3CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10821100-B2 Triazolone compounds as mPGES-1 inhibitors Ichnos Sciences SA (CH) 2020-11-03 US disclosed
US-20190282548-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2019-09-19 US disclosed
US-10391083-B2 Triazolone compounds as MPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A (CH) 2019-08-27 US disclosed
US-20180200229-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2018-07-19 US disclosed
US-9949955-B2 Triazolone compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2018-04-24 US disclosed
US-20160339000-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2016-11-24 US disclosed
US-9439890-B2 Triazolone compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2016-09-13 US disclosed
US-20150283117-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2015-10-08 US disclosed
US-9096545-B2 Triazolone compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2015-08-04 US disclosed
US-20150087646-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-03-26 US disclosed
EP-2718284-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2014-04-16 EP disclosed
WO-2013186692-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-12-19 WO disclosed
US-8158810-B2 ALDH-2 inhibitors in the treatment of addiction GILEAD SCIENCES, INC. (US) 2012-04-17 US disclosed
CN-101925590-A Aldh-2 inhibitors in treatment of addiction CV THERAPEUTICS INC 2010-12-22 CN disclosed
CN-101917987-A ALDH-2 inhibitors for the treatment of psychotic disorders CV THERAPEUTICS INC 2010-12-15 CN disclosed
US-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2009-08-20 US disclosed
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS AMYGDALA NEUROSCIENCES, INC. 2009-05-14 US disclosed
US-20080207610-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-08-28 US disclosed
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-02-07 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 (11 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-20150283117-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS PTGES, PTGIS, PTGS1 RXRA 1151/4885RXRB 1052/4885RXRG 287/4885
US-20190282548-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS PTGES, PTGS1, PTGIS RXRA 1652/4885RXRB 1557/4885RXRG 628/4885
US-20160339000-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS PTGES, PTGS1, PTGIS RXRA 1652/4885RXRB 1557/4885RXRG 628/4885
US-20080207610-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION ALDH1A1, ADH1A, ALDH3A1 RXRA 3130/4885RXRB 2717/4885RXRG 2554/4885
US-10391083-B2 Triazolone compounds as MPGES-1 inhibitors PTGES, PTGS1, PTGIS RXRA 1652/4885RXRB 1557/4885RXRG 628/4885
US-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION ALDH1A1, ADH1A, ALDH3A1 RXRA 3130/4885RXRB 2717/4885RXRG 2554/4885
US-20180200229-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS PTGES, PTGS1, PTGIS RXRA 1652/4885RXRB 1557/4885RXRG 628/4885
US-20150087646-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS PTGES, PTGS1, PTGIS RXRA 1652/4885RXRB 1557/4885RXRG 628/4885
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION ALDH1A1, ADH1A, ALDH3A1 RXRA 3364/4885RXRB 2939/4885RXRG 2749/4885
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS ALDH2, ALDH1A2, ALDH1A1 RXRA 2179/4885RXRB 1142/4885RXRG 1976/4885
US-10821100-B2 Triazolone compounds as mPGES-1 inhibitors PTGES, PTGS1, PTGIS RXRA 1652/4885RXRB 1557/4885RXRG 628/4885

“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.