SCHEMBL3014458

SCHEMBL3014458

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
ADRA2A P08913 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
MAOA P21397 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL919047 0.81 ABCB1 (0.40)
SCHEMBL3019980 0.81 ERCC1 (0.46) KMT2AMEN1HTTSIGMAR1LMNA
SCHEMBL3021786 0.80 KMT2A (0.47) KMT2AMEN1NPC1HTTMAPT
SCHEMBL18191124 0.76 ALDH1A1 (0.35) KMT2AMEN1HSD17B10MAPTSMN1; SMN2
SCHEMBL7637016 0.76 AKR1B1 (0.55) AKR1B1KMT2AMEN1ADRA2AMAPK1
SCHEMBL1782878 0.75 LMNA (0.32) NPC1LMNA
SCHEMBL3014460 0.74 AKR1B1 (0.42) AKR1B1KMT2AMEN1ADRA2AMAPK1
SCHEMBL3014456 0.74 AKR1B1 (0.42) AKR1B1KMT2AMEN1ADRA2AMAPK1
SCHEMBL17224776 0.71 PTPN1 (0.33) CYP2C9CYP2C19MAPT
SCHEMBL17224750 0.70 MAPT (0.35) KMT2AMEN1NPC1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379509-B1 HERBICIDAL AND INSECTICIDAL PHENYL-SUBSTITUTED PYRIDAZINONES BAYER IP GMBH (DE) 2016-02-17 EP disclosed
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 208/4885KMT2A 1579/4885MEN1 4643/4885

“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.