SCHEMBL6450215

SCHEMBL6450215

CC(Cl)CC(=O)Nc1c([N+](=O)[O-])cnn1-c1c(C(F)(F)Cl)cccc1C(F)(F)Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 5/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ AR P10275 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CES2 O00748 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ GLA P06280 1/20 0.33

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 0.78 PKM (0.39) PKMSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL6450214 0.77 PKM (0.38) PKMSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL10659189 0.72 MAPT (0.40) PKMSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL10674150 0.69 ALDH1A1 (0.39) PKMSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL10522944 0.68 GABRB3 (0.41) PKMALDH1A1MEN1KMT2ACYP3A4
SCHEMBL10669661 0.68 LMNA (0.40) PKMSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL10562676 0.67 ALDH1A1 (0.35) PKMSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL10388219 0.67 PKM (0.38) PKMSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL10371785 0.67 MAPT (0.39) PKMSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9587691 0.66 ALDH1A1 (0.38) PKMSMN1; SMN2ALDH1A1LMNACYP1A2

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 133/4885SMN1; SMN2 3929/4885ALDH1A1 148/4885

“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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