SCHEMBL10170050

SCHEMBL10170050

COc1ccc(OC)c2[nH]c(C(=O)N3CCC4(CC3)NC(=O)c3cc(NC(C)=O)ccc3N4)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
GSK3B P49841 2/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
NOX4 Q9NPH5 1/20 0.39
HRH4 Q9H3N8 4/20 0.37
CRBN Q96SW2 2/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
MEN1 O00255 2/20 0.36
LCK P06239 1/20 0.36
RET P07949 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
SCHEMBL10170043 0.86 KMT2A (0.51) KMT2AACACBACACAKDM4EHPGD
SCHEMBL10169931 0.84 KMT2A (0.47) KMT2AACACBACACAGSK3BKDM4E
SCHEMBL10170052 0.81 KMT2A (0.45) KMT2AACACBACACAKDM4EHPGD
SCHEMBL10170129 0.80 GSK3B (0.40) KMT2AACACBACACAGSK3BKDM4E
SCHEMBL10170124 0.79 GSK3B (0.43) KMT2AGSK3BKDM4EHPGDNOX4
SCHEMBL552021 0.78 ACACB (0.50) KMT2AACACBACACAGSK3BHPGD
SCHEMBL10169934 0.76 KMT2A (0.46) KMT2AACACBACACAKDM4EHPGD
SCHEMBL10170120 0.75 ACACB (0.42) KMT2AACACBACACAGSK3BNOX4
SCHEMBL10170115 0.75 ACACB (0.44) KMT2AACACBACACAGSK3BNOX4
SCHEMBL10170069 0.75 ACACB (0.42) KMT2AACACBACACAGSK3BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110570-B2 Modulators of acetyl-coenzyme A carboxylase and methods of use thereof CROPSOLUTION, INC. (US) 2012-02-07 US disclosed
US-8110570-B2 Modulators of acetyl-coenzyme A carboxylase and methods of use thereof CROPSOLUTION, INC. (US) 2012-02-07 US disclosed
US-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof CROPSOLUTION, INC. 2010-01-14 US disclosed
US-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof CROPSOLUTION, INC. 2010-01-14 US 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-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof ACACA, ACAT1, ACACB KMT2A 1889/4885ACACB 3/4885ACACA 1/4885

“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.