SCHEMBL3014460

SCHEMBL3014460

COC(=O)C(C)=NNCC(=O)Cc1c(Cl)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
ADRA2A P08913 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
MAOA P21397 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL3014456 1.00 AKR1B1 (0.42) AKR1B1SMN1; SMN2KMT2ACYP3A4CYP2C9
SCHEMBL3021784 0.80 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AMEN1LMNAMAPT
SCHEMBL3021788 0.80 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AMEN1LMNAMAPT
SCHEMBL919045 0.79 ABCB1 (0.40) CYP2C9CYP2C19CYP2D6CYP1A2HPGD
SCHEMBL919048 0.79 ABCB1 (0.40) CYP2C9CYP2C19CYP2D6CYP1A2HPGD
SCHEMBL3019977 0.77 HDAC3 (0.44) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL3019983 0.77 HDAC3 (0.44) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL18191123 0.76 MAPT (0.40) SMN1; SMN2KMT2AMEN1HSD17B10MAPT
SCHEMBL3014458 0.74 AKR1B1 (0.41) AKR1B1SMN1; SMN2KMT2ACYP3A4CYP2C9
SCHEMBL7637016 0.74 AKR1B1 (0.55) AKR1B1SMN1; SMN2KMT2ACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242055-B2 Herbicidally and insecticidally active phenyl-substituted pyridazinones BAYER CROPSCIENCE AG (DE) 2012-08-14 US disclosed
US-20100184602-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2010-07-22 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 (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-20100184602-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES CYP4X1, PRDX1, PNPO AKR1B1 208/4885SMN1; SMN2 3492/4885KMT2A 1579/4885

“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.