SCHEMBL10169941

SCHEMBL10169941

COc1cccc2c(C)c(C(=O)N3CCC4(CC3)NC(=O)c3cc(-c5nnn[nH]5)ccc3O4)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACACB O00763 13/20 0.36
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL10169935 0.86 HRH4 (0.47) ACACB
SCHEMBL10169933 0.86 KMT2A (0.43) KDM4EHPGDKMT2AACACBHDAC3
SCHEMBL10170271 0.86 MEN1 (0.45) KDM4EMEN1ALDH1A1POLBGAA
SCHEMBL552199 0.85 ACACB (0.48) MAPTACACBHDAC3HDAC4HDAC1
SCHEMBL10170281 0.85 KDM4E (0.44) KDM4EMEN1ALDH1A1POLBGAA
SCHEMBL10170365 0.84 MAPT (0.44) KDM4EMEN1ALDH1A1POLBGAA
SCHEMBL10169946 0.84 KMT2A (0.44) KDM4EMEN1ALDH1A1POLBGAA
SCHEMBL10169984 0.83 ALOX15 (0.38) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL10170360 0.82 KMT2A (0.42) KDM4EMEN1ALDH1A1POLBGAA
SCHEMBL10169996 0.82 ACACB (0.39) MAPTACACBHDAC3HDAC4HDAC1

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 KDM4E 2462/4885MEN1 952/4885ALDH1A1 476/4885

“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.