SCHEMBL6320498

SCHEMBL6320498

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.56
▸ MAPT P10636 1/20 0.53
▸ HPGD P15428 3/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ KMT2A Q03164 1/20 0.44
▸ PPARG P37231 3/20 0.43
▸ NCOA2 Q15596 3/20 0.43
▸ NCOA1 Q15788 3/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43
▸ NCOA3 Q9Y6Q9 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALPG P10696 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TYMP P19971 3/20 0.41
▸ GPR84 Q9NQS5 1/20 0.38
▸ FFAR3 O14843 1/20 0.36
▸ FFAR2 O15552 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL17285587 0.95 ALDH1A1 (0.57) ALDH1A1MAPTHPGDCYP2C9KMT2A
SCHEMBL17285533 0.87 ALDH1A1 (0.61) ALDH1A1MAPTHPGDCYP2C9KMT2A
SCHEMBL251649 0.85 TYMP (0.47) ALDH1A1NPSR1TYMPGPR84HCAR2
SCHEMBL6316286 0.81 KMT2A (0.39) ALDH1A1MAPTHPGDKMT2APPARG
SCHEMBL5793071 0.79 MAPT (0.56) ALDH1A1MAPTHPGDCYP2C9KMT2A
SCHEMBL28213046 0.72 ALDH1A1 (0.52) ALDH1A1MAPTHPGDKMT2AGPR84
SCHEMBL5791378 0.71 ALDH1A1 (1.00) ALDH1A1MAPTHPGDCYP2C9KMT2A
SCHEMBL5795084 0.71 ALDH1A1 (0.63) ALDH1A1MAPTHPGDKMT2APPARG
SCHEMBL17272789 0.71 MAPT (0.61) ALDH1A1MAPTHPGDCYP2C9KMT2A
SCHEMBL21925027 0.71 GLA (0.57) ALDH1A1MAPTHPGDKMT2ANPSR1

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 9 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
EP-1077954-A1 SUBSTITUTED 6-ARYL-3-THIOXO-5-(THI)OXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINES BASF AKTIENGESELLSCHAFT (DE) 2001-02-28 — — EP disclosed
WO-1999059983-A1 SUBSTITUTED 6-ARYL-3-THIOXO-5-(THI)OXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINES BASF AKTIENGESELLSCHAFT (DE) 1999-11-25 — — 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 ALDH1A1 901/4885MAPT 4604/4885HPGD 2721/4885
US-20030195118-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them CBR3, CBR1, DDT ALDH1A1 906/4885MAPT 4604/4885HPGD 2705/4885
US-20040267014-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them CBR3, HDHD5, DDT ALDH1A1 943/4885MAPT 4506/4885HPGD 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.

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