SCHEMBL10167074

SCHEMBL10167074

NNC(=O)c1nnsc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.59
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 6/20 0.57
HSD17B10 Q99714 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TDO2 P48775 1/20 0.50
ILK Q13418 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.42
GFER P55789 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL2213807 0.81 ALDH1A1 (0.85) GAAKDM4EALDH1A1HSD17B10CYP1A2
SCHEMBL6814697 0.77 ALDH1A1 (0.57) GAAKDM4EALDH1A1HSD17B10CYP1A2
SCHEMBL21854323 0.77 CAPN1 (0.52) MEN1KMT2A
SCHEMBL5146319 0.75 ILK (0.73) GAAKDM4EALDH1A1HSD17B10MEN1
SCHEMBL6815148 0.74 ILK (0.61) GAAKDM4EALDH1A1HSD17B10CYP1A2
SCHEMBL22896396 0.73 CAPN1 (0.50)
SCHEMBL28879213 0.72 TDO2 (0.51) GAAKDM4EALDH1A1HSD17B10CYP1A2
SCHEMBL14342709 0.72 ALDH1A1 (0.58) GAAKDM4EALDH1A1HSD17B10CYP1A2
SCHEMBL11769125 0.70 ALDH1A1 (0.56) KDM4EALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL27866737 0.70 GAA (0.53) GAAKDM4EALDH1A1HSD17B10CYP1A2

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-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 EP disclosed
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 US disclosed
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 US disclosed
US-8110568-B2 Inhibitors of IAP GENENTECH, INC. (US) 2012-02-07 US disclosed
US-8110568-B2 Inhibitors of IAP GENENTECH, INC. (US) 2012-02-07 US disclosed
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 US disclosed
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 US disclosed
US-20100256115-A1 INHIBITORS OF IAP COHEN FREDERICK 2010-10-07 US disclosed
US-20100256115-A1 INHIBITORS OF IAP COHEN FREDERICK 2010-10-07 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 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 (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-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 GAA 1380/4885KDM4E 2792/4885ALDH1A1 2947/4885
US-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 GAA 1383/4885KDM4E 2538/4885ALDH1A1 4132/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 GAA 1383/4885KDM4E 2538/4885ALDH1A1 4132/4885
US-20100256115-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 GAA 1383/4885KDM4E 2538/4885ALDH1A1 4132/4885

“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.