SCHEMBL10166464

SCHEMBL10166464

Cc1nnoc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.44
BRD2 P25440 1/20 0.44
TDO2 P48775 1/20 0.41
NPC1 O15118 7/20 0.39
RAB9A P51151 7/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
HPGD P15428 3/20 0.39
POLB P06746 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPK1 P28482 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL1175088 0.76 NR4A2 (0.44) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL11712592 0.74 NR4A2 (0.42) BRD4TDO2NPC1RAB9ASMN1; SMN2
SCHEMBL186399 0.74 NR4A2 (0.42) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL22158234 0.74 PTPN1 (0.39) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL20033943 0.74 GCGR (0.35) BRD4BRD2NPC1RAB9ASMN1; SMN2
SCHEMBL17633441 0.71 PTGS2 (0.41) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL10166466 0.70 PTGS1 (0.52) BRD4BRD2NPC1RAB9ASMN1; SMN2
SCHEMBL3751072 0.70 BRD4 (0.53) BRD4BRD2TDO2SMN1; SMN2HPGD
SCHEMBL22407255 0.69 NPC1 (0.38) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL20138609 0.69 PTPN1 (0.40) NPC1RAB9ASMN1; SMN2HPGDPOLB

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-11659766-B2 Organic semiconductor material for electron transport DAEGU GYEONGBUK INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2023-05-23 US disclosed
US-11659766-B2 Organic semiconductor material for electron transport DAEGU GYEONGBUK INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2023-05-23 US disclosed
US-20190189933-A1 ORGANIC SEMICONDUCTOR MATERIAL FOR ELECTRON TRANSPORT DAEGU GYEONGBUK INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2019-06-20 US disclosed
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
US-8907092-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-12-09 US disclosed
US-8907092-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-12-09 US 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-20110077265-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2011-03-31 US disclosed
US-20110077265-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2011-03-31 US disclosed
US-20110046066-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2011-02-24 US disclosed
US-20110046066-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2011-02-24 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-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 (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-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 BRD4 1053/4885BRD2 2053/4885TDO2 4611/4885
US-20110046066-A1 INHIBITORS OF IAP BIRC5, XIAP, BIRC3 BRD4 747/4885BRD2 1582/4885TDO2 4711/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 BRD4 1053/4885BRD2 2053/4885TDO2 4611/4885
US-20100256115-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 BRD4 1053/4885BRD2 2053/4885TDO2 4611/4885
US-20110077265-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC2 BRD4 886/4885BRD2 954/4885TDO2 4768/4885

“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.