Sugi Predict

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SCHEMBL2903868

SCHEMBL2903868

CC(=O)Nc1ccc([N+](=O)[O-])c(C(=O)C2C(=O)CCCC2=O)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HPD P32754 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PDE7A Q13946 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 3/20 0.37
▸ PKM P14618 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ SLC9A1 P19634 1/20 0.36
▸ POLB P06746 1/20 0.35

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
SCHEMBL2904713 0.73 HTR1F (0.41) ALDH1A1POLB
SCHEMBL29375798 0.69 MAPT (0.45) MAPTNPSR1ALDH1A1PDE7AHTT
SCHEMBL22463095 0.69 MAPT (0.45) MAPTNPSR1ALDH1A1PDE7AHTT
SCHEMBL9868010 0.69 NPSR1 (0.45) MAPTNPSR1ALDH1A1PDE7AHTT
SCHEMBL7154811 0.69 MAPT (0.50) MAPTNPSR1ALDH1A1PDE7AHTT
SCHEMBL27925235 0.69 HPD (0.43) HPDALDH1A1KMT2APKMMEN1
SCHEMBL3120978 0.69 PKM (0.55) MAPTNPSR1ALDH1A1PDE7AHTT
SCHEMBL27907242 0.67 HPD (0.44) MAPTHPDALDH1A1HTTKMT2A
SCHEMBL27907239 0.67 HPD (0.43) MAPTHPDHTTKMT2APKM
SCHEMBL9191354 0.66 HPD (0.67) HPDALDH1A1KMT2APKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040171491-A1 Substituted benzoylcyclohexenones and their use as herbicidal agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-09-02 — — US claimed
CN-1525959-A Muller Klaus-helmut �ݶ�ũ�����ѧ�ɷݹ�˾ 2004-09-01 — — CN claimed
EP-1392660-A1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2004-03-03 — — EP claimed
WO-2002092574-A1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS BAYER CROPSCIENCE AG (DE) 2002-11-21 — — WO claimed
EP-1392660-B1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS BAYER AG (DE) 2010-08-04 — — EP disclosed
US-7670991-B2 Substituted benzoylcyclohexenones and their use as herbicidal agents BAYER CROPSCIENCE AG (DE) 2010-03-02 — — US disclosed
CN-1301974-C Muller Klaus-helmut BAYER CROPSCIENCE AG (DE) 2007-02-28 — — CN disclosed
US-20040171491-A1 Substituted benzoylcyclohexenones and their use as herbicidal agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-09-02 — — US disclosed
CN-1525959-A Muller Klaus-helmut �ݶ�ũ�����ѧ�ɷݹ�˾ 2004-09-01 — — CN disclosed
EP-1392660-A1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2004-03-03 — — EP disclosed
WO-2002092574-A1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS BAYER CROPSCIENCE AG (DE) 2002-11-21 — — WO 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-20040171491-A1 Substituted benzoylcyclohexenones and their use as herbicidal agents DDT, CYP1B1, CYP1A1 MAPT 4728/4885NPSR1 933/4885HPD 527/4885

“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.