SCHEMBL3026764

SCHEMBL3026764

COc1cccc(C#N)c1C=C1C(=O)N(C)C(Cc2ccccc2)C(=O)N1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
PKM P14618 1/20 0.36
GFER P55789 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 4/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
PIM1 P11309 1/20 0.32
GNRHR P30968 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3026763 1.00 ACHE (0.36) ACHEPKMGFERMEN1KMT2A
SCHEMBL3022405 0.92 LMNA (0.35) ACHEPKMMEN1KMT2AALDH1A1
SCHEMBL3022403 0.92 LMNA (0.35) ACHEPKMMEN1KMT2AALDH1A1
SCHEMBL3022438 0.86 GFER (0.35) ACHEGFERMMP1MMP3MMP9
SCHEMBL3022436 0.86 GFER (0.35) ACHEGFERMMP1MMP3MMP9
SCHEMBL3021565 0.84 GFER (0.34) GFERMMP1MMP3MMP9
SCHEMBL3021562 0.84 GFER (0.34) GFERMMP1MMP3MMP9
SCHEMBL2794405 0.82 GFER (0.39) GFERMEN1KMT2AKDM4CMMP1
SCHEMBL2794403 0.82 GFER (0.39) GFERMEN1KMT2AKDM4CMMP1
SCHEMBL3022198 0.82 ALDH1A1 (0.39) PKMGFERMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 US claimed
EP-2157856-A1 HERBICIDALLY EFFECTIVE COMPOSITION Basf Se (DE) 2010-03-03 EP claimed
WO-2008152074-A1 HERBICIDALLY EFFECTIVE COMPOSITION BASF SE (DE) 2008-12-18 WO claimed
US-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 US disclosed
EP-2157856-A1 HERBICIDALLY EFFECTIVE COMPOSITION Basf Se (DE) 2010-03-03 EP disclosed
WO-2008152074-A1 HERBICIDALLY EFFECTIVE COMPOSITION 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-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR ACHE 895/4885PKM 497/4885GFER 47/4885

“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.