SCHEMBL10170122

SCHEMBL10170122

COc1cc(C(=O)N2CCC3(CC2)NC(=O)c2cc(Br)ccc2N3)c(OC)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PLK4 O00444 1/20 0.37
SSTR5 P35346 1/20 0.36
SCN5A Q14524 2/20 0.36
SCN9A Q15858 2/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 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
SCHEMBL10170124 0.86 GSK3B (0.43) ALDH1A1KDM4EGLAMAPTSMN1; SMN2
SCHEMBL552211 0.83 HDAC3 (0.40) ALDH1A1KDM4EMAPTSMN1; SMN2CYP2C9
SCHEMBL10170110 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EGLAMAPTSMN1; SMN2
SCHEMBL10170127 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EGLAMAPTSMN1; SMN2
SCHEMBL550912 0.81 ACACB (0.53) ALDH1A1KDM4EGLAMAPTSMN1; SMN2
SCHEMBL10170114 0.80 ACACB (0.46) ALDH1A1KDM4EGLAMAPTSMN1; SMN2
SCHEMBL10170043 0.78 KMT2A (0.51) ALDH1A1KDM4EGLAMAPTCYP2C9
SCHEMBL10170118 0.78 ACACB (0.44) ALDH1A1KDM4EGLAMAPTCYP2C9
SCHEMBL10170059 0.77 ACACB (0.44) KDM4EGLAMAPTHRH3ACACB
SCHEMBL13522218 0.77 HPGD (0.35) ALDH1A1KDM4EHPGDSCN5ASCN9A

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 ALDH1A1 476/4885KDM4E 2462/4885GLA 883/4885

“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.