SCHEMBL1572425

SCHEMBL1572425

CCOC(=O)c1cn2ccsc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 4/20 0.55
HPGD P15428 2/20 0.55
POLB P06746 2/20 0.55
MAPK1 P28482 1/20 0.54
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 2/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
GAA P10253 2/20 0.46
GABRA2 P47869 4/20 0.44
GABRB2 P47870 4/20 0.44
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL10766644 0.83 SMN1; SMN2 (0.47) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL13352171 0.80 GAA (0.48) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL12970535 0.77 SMN1; SMN2 (0.59) ALDH1A1KDM4EHPGDPOLBMAPK1
SCHEMBL17454368 0.77 TP53 (0.49) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL4939872 0.75 MAPT (0.48) ALDH1A1KDM4EHPGDPOLBMAPK1
SCHEMBL496759 0.75 PTGS1 (0.47) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL15545447 0.75 KDM4E (0.50) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL4423753 0.74 TP53 (0.43) ALDH1A1KDM4EHPGDHSD17B10MAPT
Bromide SCHEMBL570167 0.74 PTGS1 (0.46) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL17452625 0.73 TP53 (0.45) ALDH1A1KDM4EHPGDMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3885340-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2024-11-27 EP disclosed
CN-114437112-A Detect Cu2+Coumarin 1 fluorescent probe, preparation method and application thereof 宁夏师范学院 2022-05-06 CN disclosed
EP-3885340-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2021-09-29 EP disclosed
US-11046713-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2021-06-29 US disclosed
EP-3369732-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2021-05-26 EP disclosed
US-10941162-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-10919914-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2021-02-16 US disclosed
US-20200299307-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2020-09-24 US disclosed
US-10711013-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2020-07-14 US disclosed
US-20190330240-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2019-10-31 US disclosed
US-20100249071-A1 Modulators of S1P and Methods of Making And Using EXELIXIS, INC. (US) 2010-09-30 US disclosed
US-20100249071-A1 Modulators of S1P and Methods of Making And Using EXELIXIS, INC. (US) 2010-09-30 US disclosed
EP-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP disclosed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US disclosed
EP-2094690-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 EP disclosed
EP-2079690-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-22 EP disclosed
WO-2008081399-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-07-10 WO disclosed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 WO disclosed
US-7229480-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-06-12 US disclosed
US-7229480-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-06-12 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 (8 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-10919914-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB ALDH1A1 3154/4885KDM4E 3893/4885HPGD 836/4885
US-10941162-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB ALDH1A1 2938/4885KDM4E 3624/4885HPGD 763/4885
US-20190330240-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ALDH1A1 3154/4885KDM4E 3893/4885HPGD 836/4885
US-10711013-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG ALDH1A1 570/4885KDM4E 2389/4885HPGD 704/4885
US-20200299307-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG ALDH1A1 570/4885KDM4E 2389/4885HPGD 704/4885
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 ALDH1A1 702/4885KDM4E 735/4885HPGD 1029/4885
US-11046713-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG ALDH1A1 570/4885KDM4E 2389/4885HPGD 704/4885
US-20100249071-A1 Modulators of S1P and Methods of Making And Using S1PR5, S1PR1, S1PR2 ALDH1A1 1654/4885KDM4E 1216/4885HPGD 811/4885

“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.