SCHEMBL3359636

SCHEMBL3359636

O=C(O)C1c2[nH]c3ccccc3c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.49
MAPK1 P28482 2/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 5/20 0.45
HPGD P15428 4/20 0.45
GLA P06280 2/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
EGFR P00533 1/20 0.42
PBRM1 Q86U86 1/20 0.42

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
SCHEMBL4858961 0.76 KMT2A (0.47) TSHRALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL11250944 0.72 MAPKAPK2 (0.57) MAPKAPK2MAPK1CYP2D6TSHRALDH1A1
Carbazole SCHEMBL8411559 0.71 ALDH1A1 (0.74) MAPK1ALDH1A1KDM4EHPGDGLA
SCHEMBL1801427 0.71 MAPKAPK2 (0.66) MAPKAPK2MAPK1CYP2D6TSHRALDH1A1
SCHEMBL11374096 0.70 SIRT1 (0.43) MAPKAPK2MAPK1CYP2D6TSHRALDH1A1
Hydrochloric Acid SCHEMBL19139018 0.70 MAPKAPK2 (0.45) MAPKAPK2MAPK1CYP2D6TSHRALDH1A1
SCHEMBL27048383 0.69 PLAU (0.68) MAPK1CYP2D6TSHRALDH1A1KDM4E
Acridone SCHEMBL30381794 0.68 GAA (0.78) MAPK1ALDH1A1KDM4EHPGDGLA
SCHEMBL1870145 0.68 SIRT1 (0.76) MAPKAPK2MAPK1CYP2D6TSHRALDH1A1
Carbazole SCHEMBL30528395 0.67 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069248-A1 HERBICIDE COMBINATION COMPRISING DIMETHOXYTRIAZINYL SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2010-03-18 US claimed
WO-2010017921-A3 HERBICIDAL COMBINATION COMPRISING DIMETHOXY-TRIAZINYL-SUBSTITUTED DIFLUOROMETHANE SULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2010-11-11 WO disclosed
US-20100069248-A1 HERBICIDE COMBINATION COMPRISING DIMETHOXYTRIAZINYL SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2010-03-18 US disclosed
US-20100069248-A1 HERBICIDE COMBINATION COMPRISING DIMETHOXYTRIAZINYL SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2010-03-18 US disclosed
WO-2010017921-A2 HERBICIDAL COMBINATION COMPRISING DIMETHOXY-TRIAZINYL-SUBSTITUTED DIFLUOROMETHANE SULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2010-02-18 WO disclosed
WO-2010017921-A2 HERBICIDAL COMBINATION COMPRISING DIMETHOXY-TRIAZINYL-SUBSTITUTED DIFLUOROMETHANE SULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2010-02-18 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 (1 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-20100069248-A1 HERBICIDE COMBINATION COMPRISING DIMETHOXYTRIAZINYL SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES DDT, CYP2D6, CYP2A6 MAPKAPK2 1921/4885MAPK1 1950/4885CYP2D6 2/4885

“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.