SCHEMBL6316286

SCHEMBL6316286

CCCCCc1n[nH]c(=S)[nH]c1=S

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 2/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 3/20 0.37
CETP P11597 1/20 0.36
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
NPC1 O15118 1/20 0.34
HCAR2 Q8TDS4 2/20 0.33
HCAR3 P49019 1/20 0.33
MMP3 P08254 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTT P42858 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL6320498 0.81 ALDH1A1 (0.56) KMT2AALDH1A1HPGDPKMMAPT
SCHEMBL17285587 0.76 ALDH1A1 (0.57) KMT2AALDH1A1HPGDMAPTGAA
SCHEMBL8655899 0.71 HCAR2 (0.38) KMT2AALDH1A1HPGDPKMMAPT
SCHEMBL10396476 0.69 GLA (0.47) KMT2AALDH1A1HPGDPKMMAPT
SCHEMBL251649 0.69 TYMP (0.47) ALDH1A1GAAHCAR2NPSR1
SCHEMBL19156301 0.68 HCAR2 (0.41) ALDH1A1HPGDPKMKDM4EHCAR2
SCHEMBL3664202 0.67 GAA (0.42) ALDH1A1HPGDMAPTGAAHCAR2
SCHEMBL5363198 0.67 HCAR2 (0.38) KMT2AALDH1A1MAPTGAAHCAR2
SCHEMBL17285533 0.67 ALDH1A1 (0.61) KMT2AALDH1A1HPGDMAPTGAA
SCHEMBL15334779 0.65 DYRK1A (0.41) ALDH1A1HPGDMAPTKDM4EGAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927193-B2 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-08-09 US disclosed
US-20040267014-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-12-30 US disclosed
EP-1432692-A1 ARYL ETHER DERIVATIVES AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-06-30 EP disclosed
US-20030195118-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. 2003-10-16 US disclosed
US-6613718-B2 2,3-Dihydro-2-thioxo-pyrimidinone derivatives ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-09-02 US disclosed
US-20030130122-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. 2003-07-10 US disclosed
WO-2003029225-A1 ARYL ETHER DERIVATIVES AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-04-10 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-20030130122-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them CBR3, CBR1, DDT KMT2A 1725/4885ALDH1A1 901/4885HPGD 2721/4885
US-20030195118-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them CBR3, CBR1, DDT KMT2A 1757/4885ALDH1A1 906/4885HPGD 2705/4885
US-20040267014-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them CBR3, HDHD5, DDT KMT2A 1826/4885ALDH1A1 943/4885HPGD 3003/4885

“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.