SCHEMBL919045

SCHEMBL919045

COC(=O)/C(C)=N\NCC(=O)Cc1c(C)cc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.40
P2RX7 Q99572 15/20 0.36
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
EPHX2 P34913 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL919048 1.00 ABCB1 (0.40) ABCB1P2RX7CYP1A2CYP2D6CYP2C9
SCHEMBL3785202 0.84 ABCB1 (0.47) ABCB1
SCHEMBL919588 0.80 ABCB1 (0.46) ABCB1P2RX7
SCHEMBL919584 0.80 ABCB1 (0.46) ABCB1P2RX7
SCHEMBL3014456 0.79 AKR1B1 (0.42) CYP1A2CYP2D6CYP2C9CYP2C19HPGD
SCHEMBL3014460 0.79 AKR1B1 (0.42) CYP1A2CYP2D6CYP2C9CYP2C19HPGD
SCHEMBL3019983 0.79 HDAC3 (0.44) P2RX7
SCHEMBL3019977 0.79 HDAC3 (0.44) P2RX7
SCHEMBL919047 0.78 ABCB1 (0.40) ABCB1P2RX7
SCHEMBL1782880 0.77 ABCB1 (0.31) ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003692-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2011-01-06 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-20110003692-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES CYP4X1, PRDX1, PNPO ABCB1 1233/4885P2RX7 479/4885CYP1A2 30/4885

“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.