SCHEMBL6814697

SCHEMBL6814697

COC(=O)c1nnsc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
HSD17B10 Q99714 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
KDM4E B2RXH2 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 2/20 0.56
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TDO2 P48775 1/20 0.46
GRM6 O15303 1/20 0.46
GRM5 P41594 1/20 0.46
ILK Q13418 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
ERCC1 P07992 1/20 0.43
FEN1 P39748 1/20 0.43
ERCC4 Q92889 1/20 0.43

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
SCHEMBL7586906 0.86 ILK (0.55) ALDH1A1HSD17B10CYP1A2CYP2C9KDM4E
SCHEMBL22322461 0.86 ALDH1A1 (0.51) ALDH1A1HSD17B10CYP1A2CYP2C9KDM4E
SCHEMBL4831363 0.84 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP1A2CYP2C9KDM4E
SCHEMBL6815148 0.83 ILK (0.61) ALDH1A1HSD17B10CYP1A2CYP2C9KDM4E
SCHEMBL2213807 0.81 ALDH1A1 (0.85) ALDH1A1HSD17B10CYP1A2CYP2C9KDM4E
SCHEMBL10167074 0.77 GAA (0.59) ALDH1A1HSD17B10CYP1A2CYP2C9KDM4E
SCHEMBL21369992 0.76 KDM4E (0.55) ALDH1A1HSD17B10KDM4ESMN1; SMN2HPGD
SCHEMBL1809679 0.75 KDM4E (0.54) ALDH1A1HSD17B10CYP2C9KDM4ESMN1; SMN2
SCHEMBL1340230 0.74 KDM4E (0.68) ALDH1A1HSD17B10KDM4ESMN1; SMN2HPGD
SCHEMBL496791 0.73 KDM4E (0.71) ALDH1A1HSD17B10KDM4ESMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 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 (3 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 ALDH1A1 2947/4885HSD17B10 3957/4885CYP1A2 4541/4885
US-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 ALDH1A1 4132/4885HSD17B10 4717/4885CYP1A2 4837/4885
US-20100256115-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 ALDH1A1 4132/4885HSD17B10 4717/4885CYP1A2 4837/4885

“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.