SCHEMBL1002214

SCHEMBL1002214

S=c1[nH]c2cccnc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 6/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
CYP3A4 P08684 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALOX15 P16050 1/20 0.48
PDK1 Q15118 1/20 0.39
PSMD14 O00487 1/20 0.39
PIM1 P11309 1/20 0.38
METAP1 P53582 1/20 0.38
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
NUDT1 P36639 1/20 0.36
MEN1 O00255 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL30775064 1.00 PSMB8 (0.48) PSMB8KDM4EALDH1A1HPGDCYP3A4
SCHEMBL338855 0.76 KDM4E (0.42) KDM4EALDH1A1METAP1NUDT1PARP1
SCHEMBL1761836 0.69 PSMB8 (0.50) PSMB8KDM4EALDH1A1HPGDCYP3A4
SCHEMBL29967361 0.69 PSMB8 (0.50) PSMB8KDM4EALDH1A1HPGDCYP3A4
SCHEMBL742960 0.68 HTT (0.31) PSMB8KDM4EALDH1A1HPGDCYP3A4
2-Mercaptobenzothiazole SCHEMBL29433968 0.66 PSMB8 (1.00) PSMB8KDM4EALDH1A1HPGDCYP3A4
SCHEMBL12642502 0.66
2-Mercaptobenzothiazole SCHEMBL408087 0.66 PSMB8 (1.00) PSMB8KDM4EALDH1A1HPGDCYP3A4
2-Mercaptobenzothiazole SCHEMBL8749352 0.64 PSMB8 (0.95) PSMB8KDM4EALDH1A1HPGDCYP3A4
2-Mercaptobenzothiazole SCHEMBL4268289 0.64 PSMB8 (0.95) PSMB8KDM4EALDH1A1HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3676261-B1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LTD (GB) 2024-12-18 EP disclosed
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists CHRONOS THERAPEUTICS LIMITED (GB) 2023-05-30 US disclosed
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists CHRONOS THERAPEUTICS LIMITED (GB) 2023-05-30 US disclosed
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists CHRONOS THERAPEUTICS LIMITED (GB) 2023-05-30 US disclosed
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LIMITED (GB) 2022-10-20 US disclosed
WO-2019043407-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LIMITED (GB) 2019-03-07 WO disclosed
US-9382425-B2 Aza-benzazolium containing cyanine dyes Life Technologies Corporation (US) 2016-07-05 US disclosed
US-20150031579-A1 Aza-Benzazolium Containing Cyanine Dyes MOLECULAR PROBES, INC. 2015-01-29 US disclosed
US-8883415-B2 Aza-benzazolium containing cyanine dyes Life Technologies Corporation (US) 2014-11-11 US disclosed
US-20130178395-A1 Aza-Benzazolium Containing Cyanine Dyes Life Technologies Corporation (US) 2013-07-11 US disclosed
US-20080124732-A1 METHOD FOR OPTICAL MEASUREMENT OF MULTI-STRANDED NUCLEIC ACID FUJIFILM CORPORATION 2008-05-29 US disclosed
US-20080044811-A1 nucleic acid or a poly(amino acid) samples and dyes in form of staining solution are combined for sufficient time to form dye-analyte complex and are illuminated with an appropriate wavelength whereby nucleic acid or a poly(amino acid) is detected INVITROGEN CORPORATION (US) 2008-02-21 US disclosed
EP-1889880-A2 Method for optical measurement of multi-stranded nucleic acid FUJIFILM Corporation (JP) 2008-02-20 EP disclosed
EP-1362894-B1 Method for optical measurement of multi-stranded nucleic acid using cyanine dyes FUJIFILM CORP (JP) 2007-12-19 EP disclosed
US-20050112770-A1 Method for optical measurement of multi-stranded nucleic acid FUJI PHOTO FILM CO., LTD. 2005-05-26 US disclosed
US-6664047-B1 Assymetrical; substituted by a cationic side chain; exhibit bright fluorescence when associated with nucleic acid polymers such as DNA or RNA, or with polypeptides MOLECULAR PROBES, INC. 2003-12-16 US disclosed
EP-1362894-A2 Method for optical measurement of multi-stranded nucleic acid using cyanine dyes FUJI PHOTO FILM CO., LTD. (JP) 2003-11-19 EP disclosed
WO-2000066664-A1 AZA-BENZAZOLIUM CONTAINING CYANINE DYES MOLECULAR PROBES, INC. (US) 2000-11-09 WO disclosed
EP-0393574-B1 Hexitol derivatives KYOWA HAKKO KOGYO KK (JP) 1996-01-31 EP disclosed
EP-0393574-A2 Hexitol derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-10-24 EP 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 (2 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-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R PSMB8 1557/4885KDM4E 2153/4885ALDH1A1 589/4885
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists HCRTR2, HCRTR1, NPY1R PSMB8 1557/4885KDM4E 2153/4885ALDH1A1 589/4885

“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.