SCHEMBL7116558

SCHEMBL7116558

CC(C)=NOCCOC(=O)COc1ccc(Cl)c2cccnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
MAPT P10636 7/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
KDM4E B2RXH2 11/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX12 P18054 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
GAA P10253 1/20 0.48
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 4/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
HSP90AA1 P07900 2/20 0.43
CCR6 P51684 1/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 2/20 0.43

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
SCHEMBL9065471 0.88 PKM (0.63) PKMMAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL2427003 0.85 PKM (0.54) PKMMAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL2427001 0.85 PKM (0.54) PKMMAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL30026873 0.83 PKM (0.66) PKMMAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL342125 0.83 PKM (0.66) PKMMAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL9831649 0.83 PKM (0.60) PKMMAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL9829143 0.83 PKM (0.60) PKMMAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL9133259 0.82 PKM (0.54) PKMMAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL9065954 0.82 MAPT (0.64) PKMMAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL9250237 0.82 PKM (0.62) PKMMAPTSMN1; SMN2KDM4ECYP3A4

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
CN-118159542-A Substituted 2, 3-dihydro [1,3] thiazolo [4,5-b ] pyridines, salts thereof and their use as herbicidal agents 拜耳公司 2024-06-07 CN disclosed
US-6743754-B2 A SULFONYLUREA AND ONE OR MORE SURFACTANTS COMPRISING AS STRUCTURAL ELEMENT AT LEAST 10 ALKYLENE OXIDE UNITS. AVENTIS CROPSCIENCE GMBH (DE) 2004-06-01 US disclosed
US-6693063-B2 HALOGENATED HYDROXYBENZONITRILE DERIVATIVE WITH SPECIFIC SURFACTANTS AVENTIS CROPSCIENCE GMBH (DE) 2004-02-17 US disclosed
US-6569805-B1 Synergistic mixture of certain phenylsulfonylureas and/or their salts and vegetable oils for controlling weeds in crops AVENTIS CROPSCIENCE GMBH (DE) 2003-05-27 US disclosed
US-20020115569-A1 Herbicidal composition AVENTIS CROPSCIENCE GMBH (DE) 2002-08-22 US disclosed
US-20020091066-A1 Herbicidal compositions BAYER CROPSCIENCE GMBH (DE) 2002-07-11 US 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-20020091066-A1 Herbicidal compositions CBR1, CBR3, GLRA1 PKM 4319/4885MAPT 4781/4885SMN1; SMN2 1774/4885
US-20020115569-A1 Herbicidal composition CBR1, DDT, CYP1A1 PKM 4145/4885MAPT 4545/4885SMN1; SMN2 2723/4885

“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.