SCHEMBL16295335

SCHEMBL16295335

N#Cc1c(S)nc2c(c1-c1ccccc1)CCCC2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.71
HSD17B10 Q99714 6/20 0.71
ALDH1A1 P00352 9/20 0.67
ADORA2A P29274 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HPGD P15428 8/20 0.61
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPSR1 Q6W5P4 1/20 0.53
TSHR P16473 2/20 0.52
HTT P42858 1/20 0.52
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MDM2 Q00987 1/20 0.51
USP2 O75604 1/20 0.50
RET P07949 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
SCHEMBL4535362 0.97 KDM4E (0.71) KDM4EHSD17B10ALDH1A1ADORA2ASMN1; SMN2
SCHEMBL16295274 0.86 KDM4E (0.56) KDM4EHSD17B10ALDH1A1ADORA2ASMN1; SMN2
SCHEMBL17351540 0.83 KDM4E (0.71) KDM4EHSD17B10ALDH1A1ADORA2ASMN1; SMN2
SCHEMBL6252358 0.83 KDM4E (1.00) KDM4EHSD17B10ALDH1A1ADORA2ASMN1; SMN2
SCHEMBL16294362 0.83 KDM4E (0.70) KDM4EHSD17B10ALDH1A1ADORA2ASMN1; SMN2
SCHEMBL17351373 0.82 KDM4E (0.97) KDM4EHSD17B10ALDH1A1ADORA2ASMN1; SMN2
SCHEMBL1177057 0.80 KDM4E (1.00) KDM4EHSD17B10ALDH1A1ADORA2ASMN1; SMN2
SCHEMBL1177499 0.80 KDM4E (0.75) KDM4EHSD17B10ALDH1A1ADORA2ASMN1; SMN2
SCHEMBL1177695 0.79 KDM4E (0.69) KDM4EHSD17B10ALDH1A1ADORA2ASMN1; SMN2
SCHEMBL4535360 0.79 KDM4E (0.64) KDM4EHSD17B10ALDH1A1ADORA2ASMN1; SMN2

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 1598/4885HSD17B10 105/4885ALDH1A1 1039/4885
US-11375716-B2 Acetyl-CoA carboxylase modulators ACACA, ACACB, ACAT2 KDM4E 1598/4885HSD17B10 105/4885ALDH1A1 1039/4885
US-10548313-B2 Acetyl-CoA carboxylase modulators ACACA, ACACB, ACAT2 KDM4E 1598/4885HSD17B10 105/4885ALDH1A1 1039/4885
US-20200214289-A1 ACETYL-COA CARBOXYLASE MODULATORS ACACA, ACACB, ACAT2 KDM4E 1598/4885HSD17B10 105/4885ALDH1A1 1039/4885
US-20180070589-A1 ACETYL-COA CARBOXYLASE MODULATORS ACACA, ACACB, ACAT2 KDM4E 1598/4885HSD17B10 105/4885ALDH1A1 1039/4885

“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.