SCHEMBL6983173

SCHEMBL6983173

CNc1cc(C)c(C)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
CYP3A4 P08684 4/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 7/20 0.41
PRKCI P41743 1/20 0.41
ALOX15 P16050 2/20 0.40
CASP7 P55210 2/20 0.40
CASP1 P29466 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
CD44 P16070 1/20 0.39
CYP1A2 P05177 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 3/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32

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
Hydrochloric Acid SCHEMBL11754014 0.97 TSHR (0.48) TSHRCYP3A4MAPK1ALDH1A1PRKCI
Hydrochloric Acid SCHEMBL11754022 0.97 TSHR (0.48) TSHRCYP3A4MAPK1ALDH1A1PRKCI
SCHEMBL11016831 0.87 ALDH1A1 (0.50) TSHRCYP3A4MAPK1ALDH1A1PRKCI
SCHEMBL5084584 0.83 PRKCI (0.46) TSHRCYP3A4MAPK1ALDH1A1PRKCI
SCHEMBL10072631 0.82 CYP3A4 (0.55) TSHRCYP3A4MAPK1ALDH1A1PRKCI
SCHEMBL16852796 0.81 CYP3A4 (0.37) TSHRCYP3A4MAPK1ALDH1A1PRKCI
SCHEMBL11816340 0.81 CD44 (0.60) TSHRCYP3A4MAPK1ALDH1A1PRKCI
SCHEMBL864368 0.81 CD44 (0.60) TSHRCYP3A4MAPK1ALDH1A1PRKCI
SCHEMBL21872501 0.81 CYP3A4 (0.37) TSHRCYP3A4MAPK1ALDH1A1PRKCI
SCHEMBL30711502 0.81 CYP3A4 (0.42) TSHRCYP3A4MAPK1ALDH1A1PRKCI

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 32 patents — showing the first 20. 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-10821100-B2 Triazolone compounds as mPGES-1 inhibitors Ichnos Sciences SA (CH) 2020-11-03 US disclosed
EP-3715424-A1 HIGH WET FAST DISPERSE DYE MIXTURES OF N-[4-(5-THIOCYANATO-2,4-DINITRO-PHENYLAZO)-PHENYL]-AMINE DERIVATIVES AND N-[4-(4-NITRO-PHENYLAZO)-PHENYL]-AMINE DERIVATIVES DyStar Colours Distribution GmbH (DE) 2020-09-30 EP disclosed
US-20190282548-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2019-09-19 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-8030309-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-04 US disclosed
US-7879851-B2 such as (E)-3-[2-(1-{[2-(5-Bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carbonyl]-amino}-cyclobutyl)-3-methyl-3H-benzoimidazol-5-yl]-acrylic Acid, used for the treatment of hepatitis C virus infections BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-20110015203-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
US-20090170859-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-02 US disclosed
EP-1155014-B1 NEW BENZIMIDAZOLE COMPOUNDS FOR USE AS ACTIVE THERAPEUTIC SUBSTANCES, PROCESS FOR THE PREPARATION OF THESE COMPOUDNS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA AB (SE) 2003-06-04 EP disclosed
EP-1155014-A1 NEW BENZIMIDAZOLE COMPOUNDS FOR USE AS ACTIVE THERAPEUTIC SUBSTANCES, PROCESS FOR THE PREPARATION OF THESE COMPOUDNS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia AB (SE) 2001-11-21 EP disclosed
WO-2000043387-A1 NEW BENZIMIDAZOLE COMPOUNDS FOR USE AS ACTIVE THERAPEUTIC SUBSTANCES, PROCESS FOR THE PREPARATION OF THESE COMPOUDNS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA AB (SE) 2000-07-27 WO disclosed
US-4007272-A Substituted benzodiazepin-10-ones in treating pain and depression AMERICAN CYANAMID COMPANY (US) 1977-02-08 US disclosed
US-3953430-A ANTIDEPRESSANTS, ANALGESICS AMERICAN CYANAMID COMPANY (US) 1976-04-27 US disclosed
US-3931215-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-06 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 (7 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 TSHR 2179/4885CYP3A4 114/4885MAPK1 281/4885
US-20160339000-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS PTGES, PTGS1, PTGIS TSHR 2179/4885CYP3A4 114/4885MAPK1 281/4885
US-10391083-B2 Triazolone compounds as MPGES-1 inhibitors PTGES, PTGS1, PTGIS TSHR 2179/4885CYP3A4 114/4885MAPK1 281/4885
US-20180200229-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS PTGES, PTGS1, PTGIS TSHR 2179/4885CYP3A4 114/4885MAPK1 281/4885
US-20090170859-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 TSHR 2498/4885CYP3A4 1785/4885MAPK1 1505/4885
US-20110015203-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 TSHR 2498/4885CYP3A4 1785/4885MAPK1 1505/4885
US-10821100-B2 Triazolone compounds as mPGES-1 inhibitors PTGES, PTGS1, PTGIS TSHR 2179/4885CYP3A4 114/4885MAPK1 281/4885

“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.