SCHEMBL16294362

SCHEMBL16294362

COc1ccc(-c2c(C#N)c(S)nc3c2CCCC3)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.70
ALDH1A1 P00352 10/20 0.70
GAA P10253 1/20 0.70
CUL4A Q13619 2/20 0.54
HSD17B10 Q99714 8/20 0.54
MAPK1 P28482 4/20 0.54
USP2 O75604 2/20 0.54
HPGD P15428 8/20 0.53
MAPT P10636 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TSHR P16473 2/20 0.51
MAPK10 P53779 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
LMNA P02545 1/20 0.51
ADORA2A P29274 2/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
HRH2 P25021 1/20 0.48

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
SCHEMBL6253678 0.85 KDM4E (0.95) KDM4EALDH1A1GAAHSD17B10MAPK1
SCHEMBL16295274 0.83 KDM4E (0.56) KDM4EALDH1A1GAAHSD17B10MAPK1
SCHEMBL16295335 0.83 KDM4E (0.71) KDM4EALDH1A1GAAHSD17B10MAPK1
SCHEMBL6253844 0.82 KDM4E (1.00) KDM4EALDH1A1GAAHSD17B10MAPK1
SCHEMBL4535362 0.80 KDM4E (0.71) KDM4EALDH1A1GAAHSD17B10MAPK1
SCHEMBL3359383 0.75 KDM4E (0.60) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL17351544 0.73 KDM4E (0.64) KDM4EALDH1A1GAAHSD17B10MAPK1
SCHEMBL16294253 0.72 RXFP1 (0.64) KDM4EALDH1A1GAAHSD17B10MAPK1
SCHEMBL245539 0.72 ADORA1 (0.46) KDM4EALDH1A1GAACUL4AHPGD
SCHEMBL17738784 0.72 KDM4E (0.41) KDM4EALDH1A1HSD17B10MAPK1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11375716-B2 Acetyl-CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2022-07-05 US disclosed
US-20200214289-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2020-07-09 US disclosed
US-10548313-B2 Acetyl-CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2020-02-04 US disclosed
US-20180070589-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2018-03-15 US disclosed
US-9844218-B2 Acetyl-CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2017-12-19 US disclosed
US-20160130229-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2016-05-12 US disclosed
WO-2014201326-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2014-12-18 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 (5 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-20160130229-A1 ACETYL-COA CARBOXYLASE MODULATORS ACACA, ACACB, ACAT2 KDM4E 1598/4885ALDH1A1 1039/4885GAA 277/4885
US-11375716-B2 Acetyl-CoA carboxylase modulators ACACA, ACACB, ACAT2 KDM4E 1598/4885ALDH1A1 1039/4885GAA 277/4885
US-10548313-B2 Acetyl-CoA carboxylase modulators ACACA, ACACB, ACAT2 KDM4E 1598/4885ALDH1A1 1039/4885GAA 277/4885
US-20200214289-A1 ACETYL-COA CARBOXYLASE MODULATORS ACACA, ACACB, ACAT2 KDM4E 1598/4885ALDH1A1 1039/4885GAA 277/4885
US-20180070589-A1 ACETYL-COA CARBOXYLASE MODULATORS ACACA, ACACB, ACAT2 KDM4E 1598/4885ALDH1A1 1039/4885GAA 277/4885

“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.