SCHEMBL2821098

SCHEMBL2821098

Cn1c(-c2ccccc2)c[nH]c1=S

nearest known ligand 0.93

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.93
ALOX12 P18054 1/20 0.93
RAB9A P51151 1/20 0.93
TDP1 Q9NUW8 1/20 0.93
ALDH1A1 P00352 13/20 0.61
KDM4E B2RXH2 4/20 0.61
HPGD P15428 6/20 0.59
KMT2A Q03164 4/20 0.59
GAA P10253 3/20 0.59
MEN1 O00255 1/20 0.59
MAPT P10636 3/20 0.57
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL17446083 0.96 NPC1 (1.00) NPC1ALOX12RAB9ATDP1ALDH1A1
SCHEMBL17446079 0.82 ALOX12 (0.71) NPC1ALOX12RAB9ATDP1ALDH1A1
SCHEMBL17446074 0.81 TDP1 (0.69) NPC1ALOX12RAB9ATDP1ALDH1A1
SCHEMBL17446133 0.80 RAB9A (0.63) NPC1ALOX12RAB9ATDP1ALDH1A1
SCHEMBL17450578 0.79 NPC1 (0.66) NPC1ALOX12RAB9ATDP1ALDH1A1
SCHEMBL2819452 0.79 TDP1 (0.61) NPC1ALOX12RAB9ATDP1ALDH1A1
SCHEMBL17448694 0.79 NPC1 (0.61) NPC1ALOX12RAB9ATDP1ALDH1A1
SCHEMBL17450525 0.78 RAB9A (0.65) NPC1ALOX12RAB9ATDP1ALDH1A1
SCHEMBL17446078 0.78 ALOX12 (0.65) NPC1ALOX12RAB9ATDP1ALDH1A1
SCHEMBL17446077 0.77 NPC1 (0.59) NPC1ALOX12RAB9ATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196604-B2 Mitochondrial inhibitors for use in culturing pluripotent stem cells THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-02-05 US claimed
US-20170130198-A1 MITOCHONDRIAL INHIBITORS FOR USE IN CULTURING PLURIPOTENT STEM CELLS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2017-05-11 US claimed
WO-2015196139-A1 MITOCHONDRIAL INHIBITORS FOR USE IN CULTURING PLURIPOTENT STEM CELLS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-12-23 WO claimed
US-10633377-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2020-04-28 US disclosed
US-10407420-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2019-09-10 US disclosed
US-10392381-B2 Prevention and treatment of non-alcoholic fatty liver disease OHIO UNIVERSITY (US) 2019-08-27 US disclosed
US-10196604-B2 Mitochondrial inhibitors for use in culturing pluripotent stem cells THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-02-05 US disclosed
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2018-07-17 US disclosed
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2018-07-17 US disclosed
US-9918964-B2 Reducing platelet activation, aggregation and platelet-stimulated thrombosis or blood coagulation by reducing mitochondrial respiration THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-03-20 US disclosed
US-9918964-B2 Reducing platelet activation, aggregation and platelet-stimulated thrombosis or blood coagulation by reducing mitochondrial respiration THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-03-20 US disclosed
WO-2016010610-A2 IMIDAZOLE AND THIAZOLE COMPOSITIONS FOR MODIFYING BIOLOGICAL SIGNALING OHIO UNIVERSITY (US) 2016-01-21 WO disclosed
WO-2015196139-A1 MITOCHONDRIAL INHIBITORS FOR USE IN CULTURING PLURIPOTENT STEM CELLS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-12-23 WO disclosed
EP-2399578-A1 Methods and compositions for the treatment of autoimmune and inflammatory diseases associated with toll-like receptors The Interthyr Corporation (US) 2011-12-28 EP disclosed
US-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration STANFORD UNIVERSITY (US) 2011-12-08 US disclosed
US-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration STANFORD UNIVERSITY (US) 2011-12-08 US disclosed
EP-1891057-B1 AZABICYCLO[3.1.0]HEXANE DERIVAIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
US-20090326011-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
EP-1891057-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2008-02-27 EP disclosed
WO-2006133946-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-12-21 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 (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-20090326011-A1 AZAB I CYCLO [3 . 1 . 0] HEXANE DERIVATIVES AS DOPAMIN D3 RECEPTOR MODULATORS CHRNB3, DRD2, DRD3 NPC1 4097/4885ALOX12 1028/4885RAB9A 1870/4885
US-10196604-B2 Mitochondrial inhibitors for use in culturing pluripotent stem cells TFAM, TUFM, ALDH2 NPC1 4432/4885ALOX12 3742/4885RAB9A 4436/4885
US-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration PC, PFKP, UQCRC1 NPC1 4167/4885ALOX12 364/4885RAB9A 2148/4885
US-10392381-B2 Prevention and treatment of non-alcoholic fatty liver disease FABP1, LIPC, SLC10A1 NPC1 74/4885ALOX12 330/4885RAB9A 2970/4885
US-10407420-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 NPC1 633/4885ALOX12 3607/4885RAB9A 2968/4885
US-10633377-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 NPC1 650/4885ALOX12 3596/4885RAB9A 2983/4885
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling FGFR1, TYRO3, STAT6 NPC1 644/4885ALOX12 3510/4885RAB9A 3095/4885

“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.