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SCHEMBL3802086

SCHEMBL3802086

Cc1cccc([N+](=O)[O-])c1CC1C(=O)NC(C)(Cc2ccc(F)cc2)C(=O)N1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ PKM P14618 1/20 0.31
▸ SOS1 Q07889 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ GFER P55789 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
SCHEMBL3022044 0.93 LMNA (0.35) ALDH1A1L3MBTL1HTTLMNAKMT2A
SCHEMBL3802948 0.91 GFER (0.35) ALDH1A1L3MBTL1HTTLMNASMN1; SMN2
SCHEMBL3021663 0.90 ALDH1A1 (0.36) ALDH1A1L3MBTL1HTTLMNASMN1; SMN2
SCHEMBL3802447 0.88 LMNA (0.32) ALDH1A1L3MBTL1HTTLMNAKMT2A
SCHEMBL3798367 0.87 ALDH1A1 (0.34) ALDH1A1L3MBTL1HTTLMNASMN1; SMN2
SCHEMBL3017464 0.87 HTR6 (0.32) L3MBTL1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL3021818 0.87 ALDH1A1 (0.39) ALDH1A1L3MBTL1HTTLMNASMN1; SMN2
SCHEMBL3021682 0.86 ALDH1A1 (0.34) ALDH1A1L3MBTL1HTTLMNASMN1; SMN2
SCHEMBL3797892 0.84 ALDH1A1 (0.36) ALDH1A1L3MBTL1HTTLMNASMN1; SMN2
SCHEMBL3026760 0.82 ALDH1A1 (0.39) ALDH1A1L3MBTL1HTTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173777-A1 Piperazine Compounds Having Herbicidal Action BASF SE (DE) 2010-07-08 — — US claimed
EP-2054394-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-11-18 — — EP claimed
EP-2054394-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 — — EP claimed
WO-2008152072-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-12-18 — — WO claimed
US-20100173777-A1 Piperazine Compounds Having Herbicidal Action BASF SE (DE) 2010-07-08 — — US disclosed
EP-2054394-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-11-18 — — EP disclosed
EP-2054394-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 — — EP disclosed
WO-2008152072-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-12-18 — — 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-20100173777-A1 Piperazine Compounds Having Herbicidal Action CBR3, CBR1, CNPY2 ALDH1A1 1174/4885L3MBTL1 392/4885HTT 2113/4885

“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.