SCHEMBL3353930

SCHEMBL3353930

COSCc1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.47
ACHE P22303 5/20 0.43
BCHE P06276 3/20 0.43
AGXT P21549 2/20 0.43
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
RECQL P46063 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL975422 0.83 IDO1 (0.48) IDO1ACHEBCHEAGXTRAB9A
SCHEMBL11988887 0.82 IDO1 (0.44) IDO1ACHEBCHEAGXTRAB9A
SCHEMBL14899720 0.79 APP (0.52) IDO1CYP1A2
SCHEMBL14899725 0.79 TDP1 (0.44) IDO1RAB9ATDP1ALDH1A1MAPT
SCHEMBL546541 0.78 CYP1A2 (0.42) IDO1CYP1A2TAAR1TDP1ALDH1A1
SCHEMBL28430892 0.75 IDO1 (0.52) IDO1ACHEBCHEAGXTRAB9A
SCHEMBL18531376 0.74 BCHE (0.45) IDO1ACHEBCHEAGXTRAB9A
SCHEMBL915196 0.74 IDO1 (0.54) IDO1ACHERAB9ACYP1A2CYP2A6
SCHEMBL2802287 0.74 IDO1 (0.54) IDO1ACHEBCHEAGXTRAB9A
Methylene Chloride SCHEMBL28192144 0.73 CYP1A2 (0.38) IDO1CYP1A2TAAR1ALDH1A1

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-20190047968-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES FMC CORP (US) 2019-02-14 US disclosed
US-20170129861-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2017-05-11 US disclosed
US-9573909-B2 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides FMC CORPORATION (US) 2017-02-21 US disclosed
US-8334236-B2 Ring-fused 2-pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2012-12-18 US disclosed
WO-2012002096-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2012-01-05 WO disclosed
US-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-11-24 US disclosed
WO-2010089993-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES クミアイ化学工業株式会社 (JP) 2010-08-12 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-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES CBR3, CBR1, CHRM1 IDO1 1015/4885ACHE 498/4885BCHE 1276/4885
US-20170129861-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES DDT, AADAC, DAZAP1 IDO1 258/4885ACHE 337/4885BCHE 853/4885
US-20190047968-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES DDT, AADAC, DAZAP1 IDO1 258/4885ACHE 337/4885BCHE 853/4885

“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.