SCHEMBL3171224

SCHEMBL3171224

CCOC(=O)C(Cc1ccccc1I)N(C)C(=O)C(Cc1ccccc1)NC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 2/20 0.41
▸ NPY1R P25929 1/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ ELANE P08246 1/20 0.37
▸ HPRT1 P00492 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP14 P50281 1/20 0.37
▸ TP53 P04637 2/20 0.37
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL13799191 1.00 MMP8 (0.41) MMP8NPY1RNPY2RABCB1ELANE
SCHEMBL14465126 0.89 MMP8 (0.43) MMP8NPY1RNPY2RELANEHPRT1
SCHEMBL3161587 0.84 ITGA4 (0.42) MMP8CTSLCTSBCTSSCTSK
SCHEMBL13799190 0.81 ALDH1A1 (0.38) MMP8NPY1RNPY2RABCB1POLB
SCHEMBL4092235 0.81 ALDH1A1 (0.38) MMP8NPY1RNPY2RABCB1POLB
SCHEMBL3162028 0.78 MMP8 (0.40) MMP8ELANETP53OPRK1EPHX2
SCHEMBL4092431 0.75 MMP13 (0.39) MMP8POLBGAAALDH1A1
SCHEMBL30688463 0.75 MMP9 (0.48) MMP8MMP9MMP14ALDH1A1
SCHEMBL4765072 0.75 MMP8 (0.59) MMP8NPY1RNPY2RELANEHPRT1
SCHEMBL6322057 0.75 MMP8 (0.59) MMP8NPY1RNPY2RELANEHPRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101374820-B Piperazine compounds with a herbicidal action BASF SE 2013-09-04 — — CN disclosed
US-8450301-B2 Piperazine compounds with a herbicidal action BASF SE (DE) 2013-05-28 — — US disclosed
EP-1971580-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2010-02-24 — — EP disclosed
US-20090156553-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-06-18 — — US disclosed
CN-101374820-A Piperazine compounds with a herbicidal action BASF SE (DE) 2009-02-25 — — CN 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-20090156553-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION DDT, CAT, CIP2A MMP8 2825/4885NPY1R 2590/4885NPY2R 2316/4885

“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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