SCHEMBL3023698

SCHEMBL3023698

COc1cccc(C#N)c1CC1C(=O)N(C)C(Cc2ccccc2)C(=O)N1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.42
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
ACHE P22303 2/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
GNRHR P30968 2/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TACR1 P25103 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
SCHEMBL3021484 0.91 CAPN1 (0.43) CAPN1PKMALDH1A1TSHRGNRHR
SCHEMBL3022057 0.84 CAPN1 (0.43) CAPN1MEN1KMT2AALDH1A1MMP1
SCHEMBL3021710 0.82 HSD11B1 (0.38) PKMMEN1KMT2AMAPK1ACHE
SCHEMBL27797603 0.81 CAPN1 (0.40) CAPN1MEN1KMT2AALDH1A1MMP1
SCHEMBL3795636 0.81 ACHE (0.35) PKMMEN1KMT2AMAPK1ACHE
SCHEMBL3026144 0.80 CAPN1 (0.48) CAPN1MEN1KMT2AMAPTHDAC6
SCHEMBL3026819 0.79 ALDH1A1 (0.46) CAPN1KMT2AMAPK1ALDH1A1MAPT
SCHEMBL3015902 0.79 CAPN1 (0.45) CAPN1MEN1KMT2AALDH1A1MAPT
SCHEMBL3024183 0.79 CAPN1 (0.42) CAPN1MMP1MMP3MMP9MAPT
SCHEMBL3026862 0.78 HSD11B1 (0.35) PKMMEN1KMT2AACHEALDH1A1

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 CAPN1 3690/4885PKM 497/4885MEN1 4521/4885

“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.