SCHEMBL689612

SCHEMBL689612

CCOC(=O)c1c(-c2cccc(C)c2)csc1N

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.77
ALDH1A1 P00352 9/20 0.72
MAPT P10636 7/20 0.72
MAPK1 P28482 2/20 0.71
PRKCZ Q05513 9/20 0.68
HPGD P15428 2/20 0.67
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
ALOX15 P16050 3/20 0.65
USP2 O75604 1/20 0.65
PRKCI P41743 2/20 0.63
TDP1 Q9NUW8 2/20 0.62
GAA P10253 1/20 0.62
KEAP1 Q14145 1/20 0.62
MPI P34949 1/20 0.58
LMNA P02545 2/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57

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
SCHEMBL8288638 0.90 PRKCZ (0.72) HSD17B10ALDH1A1MAPTMAPK1PRKCZ
SCHEMBL8288636 0.89 ALDH1A1 (0.70) HSD17B10ALDH1A1MAPTMAPK1PRKCZ
SCHEMBL689305 0.89 ALDH1A1 (0.70) HSD17B10ALDH1A1MAPTMAPK1PRKCZ
SCHEMBL8289775 0.88 ALDH1A1 (0.69) HSD17B10ALDH1A1MAPTMAPK1PRKCZ
SCHEMBL689025 0.88 PRKCZ (0.73) HSD17B10ALDH1A1MAPTMAPK1PRKCZ
SCHEMBL689202 0.88 PRKCZ (0.73) HSD17B10ALDH1A1MAPTMAPK1PRKCZ
SCHEMBL1190649 0.87 PRKCZ (0.80) HSD17B10ALDH1A1MAPTMAPK1PRKCZ
SCHEMBL5919161 0.87 PRKCZ (0.75) HSD17B10ALDH1A1MAPTMAPK1PRKCZ
SCHEMBL689790 0.86 ALDH1A1 (0.78) HSD17B10ALDH1A1MAPTMAPK1PRKCZ
SCHEMBL8289405 0.85 PRKCZ (0.74) HSD17B10ALDH1A1MAPTMAPK1PRKCZ

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-9029545-B2 Thienopyridine NOX2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2015-05-12 US disclosed
US-20120252805-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2012-10-04 US disclosed
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
EP-1383463-B1 FUSED THIOPHENE COMPOUNDS AND USE THEREOF IN THE TREATMENT OF CHRONIC PAIN KING PHARMACEUTICALS INC (US) 2011-04-27 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-1383463-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS INC (US) 2009-03-25 EP disclosed
US-7449490-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-11-11 US disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP disclosed
US-7101905-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2006-09-05 US disclosed
US-20060183921-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-08-17 US disclosed
WO-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 WO disclosed
EP-1383463-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE King Pharmaceuticals, Inc. (US) 2004-01-28 EP disclosed
US-20030073733-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-04-17 US disclosed
WO-2002083083-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS, INC. (US) 2002-10-24 WO disclosed
EP-1095044-A1 PIPERAZYNIL PYRIMIDINE DIONE COMPOUNDS SELECTIVE FOR ADRENOCEPTORS ABBOTT LABORATORIES (US) 2001-05-02 EP disclosed
US-6166019-A Piperazinyl pyrimidine dione compounds selective for adrenoceptors ABBOTT LABORATORIES (US) 2000-12-26 US disclosed
US-6153614-A Piperazinyl pyrimidine dione compounds selective for adrenoceptors ABBOTT LABORATORIES (US) 2000-11-28 US disclosed
WO-2000004027-A1 PIPERAZYNIL PYRIMIDINE DIONE COMPOUNDS SELECTIVE FOR ADRENOCEPTORS ABBOTT LABORATORIES (US) 2000-01-27 WO 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 (4 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-20120252805-A1 NOVEL COMPOUNDS CYBB, NOX1, NOX4 HSD17B10 362/4885ALDH1A1 734/4885MAPT 1781/4885
US-20060183921-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE HSD17B10 2648/4885ALDH1A1 1591/4885MAPT 1176/4885
US-20030073733-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE HSD17B10 2648/4885ALDH1A1 1591/4885MAPT 1176/4885
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 HSD17B10 832/4885ALDH1A1 423/4885MAPT 4287/4885

“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.