SCHEMBL718733

SCHEMBL718733

C#Cc1cc(Cl)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.48
TSHR P16473 6/20 0.42
TDP1 Q9NUW8 5/20 0.42
CYP3A4 P08684 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.36
PYCR1 P32322 1/20 0.35
PGK1 P00558 1/20 0.34
LMNA P02545 1/20 0.33
CYP2A6 P11509 1/20 0.33
AHR P35869 1/20 0.33
IDO1 P14902 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 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
SCHEMBL2783347 0.80 TP53 (0.48) TP53TSHRTDP1CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL31612432 0.78 TP53 (0.46) TP53TSHRTDP1CYP3A4ALDH1A1
SCHEMBL1544963 0.78 PTGDR2 (0.36) TP53TSHRTDP1CYP3A4ALDH1A1
SCHEMBL9938159 0.76 PGK1 (0.36) ALDH1A1PTGDR2PGK1CYP2A6AHR
SCHEMBL12872214 0.76 PTGDR2 (0.39) TP53TDP1CYP3A4ALDH1A1MAPK1
SCHEMBL3227489 0.76 TP53 (0.33) TP53TSHRTDP1CYP3A4ALDH1A1
SCHEMBL11902651 0.76 CYP3A4 (0.52) TP53TSHRTDP1CYP3A4ALDH1A1
SCHEMBL2809328 0.76 HSD17B10 (0.50) TSHRTDP1CYP3A4ALDH1A1HSD17B10
SCHEMBL2809814 0.76 ALDH1A1 (0.52) TP53TSHRTDP1CYP3A4ALDH1A1
SCHEMBL28352216 0.76 PYCR1 (0.39) TP53TSHRTDP1CYP3A4ALDH1A1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108101740-B Method for directly converting aromatic alkyne into chiral alcohol by one-pot method 三峡大学 2022-02-01 CN disclosed
CN-108101741-B Method for synthesizing chiral alcohol by alkyne hydration/asymmetric hydrogenation tandem 三峡大学 2021-06-29 CN disclosed
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-20160339000-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2016-11-24 US disclosed
US-20160339000-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2016-11-24 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
WO-2013186692-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-12-19 WO disclosed
US-8445141-B2 Sulfonic acid group-containing polymer, method for producing the same, resin composition containing such sulfonic acid group-containing polymer, polymer electrolyte membrane, polymer electrolyte membrane/electrode assembly, and fuel cell TOYO BOSEKI KABUSHIKI KAISHA (JP) 2013-05-21 US disclosed
US-8216727-B2 Aromatic hydrocarbon based proton exchange membrane and direct methanol fuel cell using same TOYO BOSEKI KABUSHIKI KAISHA (JP) 2012-07-10 US disclosed
US-20120052411-A9 AROMATIC HYDROCARBON BASED PROTON EXCHANGE MEMBRANE AND DIRECT METHANOL FUEL CELL USING SAME TOYO BOSEKI KABUSHIKI KAISHA (JP) 2012-03-01 US disclosed
US-20090075147-A1 Sulfonic acid group-containing polymer, method for producing the same, resin composition containing such sulfonic acid group-containing polymer, polymer electrolyte membrane, polymer electrolyte membrane/electrode assembly, and fuel cell TOYO BOSEKI KABUSHIKI KAISHA (JP) 2009-03-19 US disclosed
EP-1889863-A1 SULFONIC ACID GROUP-CONTAINING POLYMER, METHOD FOR PRODUCING SAME, RESIN COMPOSITION CONTAINING SUCH SULFONIC ACID GROUP-CONTAINING POLYMER, POLYMER ELECTROLYTE MEMBRANE, POLYMER ELECTROLYTE MEMBRANE/ELECTRODE ASSEMBLY, AND FUEL CELL Toyo Boseki Kabushiki Kasisha (JP) 2008-02-20 EP disclosed
US-20070207361-A1 AROMATIC HYDROCARBON BASED PROTON EXCHANGE MEMBRANE AND DIRECT METHANOL FUEL CELL USING SAME TOYO BOSEKI KABUSHIKI KAISHA (JP) 2007-09-06 US disclosed
EP-1826846-A1 AROMATIC HYDROCARBON-BASE PROTON EXCHANGE MEMBRANE AND DIRECT METHANOL FUEL CELL USING SAME Toyo Boseki Kabushiki Kasisha (JP) 2007-08-29 EP 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 (5 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-20190282548-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS PTGES, PTGS1, PTGIS TP53 4145/4885TSHR 2179/4885TDP1 505/4885
US-20160339000-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS PTGES, PTGS1, PTGIS TP53 4145/4885TSHR 2179/4885TDP1 505/4885
US-10391083-B2 Triazolone compounds as MPGES-1 inhibitors PTGES, PTGS1, PTGIS TP53 4145/4885TSHR 2179/4885TDP1 505/4885
US-20180200229-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS PTGES, PTGS1, PTGIS TP53 4145/4885TSHR 2179/4885TDP1 505/4885
US-10821100-B2 Triazolone compounds as mPGES-1 inhibitors PTGES, PTGS1, PTGIS TP53 4145/4885TSHR 2179/4885TDP1 505/4885

“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.