SCHEMBL6450214

SCHEMBL6450214

CC(Cl)CC(=O)Nc1c([N+](=O)[O-])cnn1-c1c(Cl)ccc(C(F)F)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 4/20 0.38
▸ KMT2A Q03164 6/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ LMNA P02545 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PDK1 Q15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALDH3A1 P30838 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL1535809 0.84 PKM (0.39) PKMKMT2AMEN1MAPTCYP1A2
SCHEMBL6450215 0.77 PKM (0.37) PKMKMT2AMEN1MAPTCYP1A2
SCHEMBL987637 0.71 PKM (0.42) PKMKMT2AMEN1MAPTCYP1A2
SCHEMBL8022090 0.71 PKM (0.41) PKMKMT2AMEN1MAPTCYP1A2
SCHEMBL9458742 0.69 PKM (0.50) PKMKMT2AMEN1MAPTCYP1A2
Propane SCHEMBL6051102 0.69 PKM (0.42) PKMKMT2AMEN1MAPTCYP1A2
SCHEMBL10659189 0.69 MAPT (0.40) PKMKMT2AMEN1MAPTCYP1A2
SCHEMBL10562676 0.68 ALDH1A1 (0.35) PKMKMT2AMEN1MAPTCYP1A2
SCHEMBL10559340 0.67 PKM (0.47) PKMKMT2AMEN1MAPTHTT
SCHEMBL10522944 0.67 GABRB3 (0.41) PKMKMT2AMEN1CYP3A4ALDH1A1

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-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2005-09-01 — — 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-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones DDT, CBR3, CYP1B1 PKM 133/4885KMT2A 505/4885MEN1 4659/4885

“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.

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