SCHEMBL15554369

SCHEMBL15554369

COC(=O)CCc1nc(C)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 3/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
EGFR P00533 2/20 0.36
MAPK1 P28482 1/20 0.36
TKT P29401 1/20 0.36
RPS6KB2 Q9UBS0 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
SCHEMBL15556376 0.85 MAPT (0.52) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL11099629 0.85 MAPT (0.37) KDM4EALDH1A1MAPTLMNA
SCHEMBL8318319 0.80 HDAC3 (0.42) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL4766858 0.79 CAPN1 (0.40) SMN1; SMN2MAPTHTTKMT2A
SCHEMBL3929708 0.76 KDM4E (0.42) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL11226276 0.75 CYP4F2 (0.47) KDM4EALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL542826 0.72
SCHEMBL7457649 0.72 HTT (0.48) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL23164498 0.71 KDM4E (0.41) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL8184986 0.71 KDM4E (0.41) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083583-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF SAGIMET BIOSCIENCES INC (US) 2020-11-18 EP disclosed
EP-3083583-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF SAGIMET BIOSCIENCES INC (US) 2020-11-18 EP disclosed
EP-2870150-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3 V BIOSCIENCES INC (US) 2019-06-19 EP disclosed
EP-2870150-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3 V BIOSCIENCES INC (US) 2019-06-19 EP disclosed
US-10226449-B2 Heterocyclic modulators of lipid synthesis and combinations thereof 3-V BIOSCIENCES, INC. (US) 2019-03-12 US disclosed
US-10226449-B2 Heterocyclic modulators of lipid synthesis and combinations thereof 3-V BIOSCIENCES, INC. (US) 2019-03-12 US disclosed
US-10118913-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2018-11-06 US disclosed
US-10053450-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2018-08-21 US disclosed
US-20180222892-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2018-08-09 US disclosed
US-20180222892-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2018-08-09 US disclosed
US-9428502-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2016-08-30 US disclosed
US-9428502-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2016-08-30 US disclosed
US-20150210688-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2015-07-30 US disclosed
US-20150210688-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2015-07-30 US disclosed
US-20150210688-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2015-07-30 US disclosed
WO-2015095767-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF 3-V BIOSCIENCES, INC. (US) 2015-06-25 WO disclosed
WO-2015095767-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF 3-V BIOSCIENCES, INC. (US) 2015-06-25 WO disclosed
EP-2870150-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V Biosciences, Inc. (US) 2015-05-13 EP disclosed
WO-2014008197-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2014-01-09 WO disclosed
WO-2014008197-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2014-01-09 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-10118913-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, FADS2 KDM4E 2502/4885ALDH1A1 879/4885HSD17B10 73/4885
US-10053450-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, FADS2 KDM4E 2502/4885ALDH1A1 879/4885HSD17B10 73/4885
US-20180222892-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 KDM4E 2502/4885ALDH1A1 879/4885HSD17B10 73/4885
US-10226449-B2 Heterocyclic modulators of lipid synthesis and combinations thereof FASN, FADS1, COASY KDM4E 2053/4885ALDH1A1 959/4885HSD17B10 81/4885
US-20150210688-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 KDM4E 2502/4885ALDH1A1 879/4885HSD17B10 73/4885

“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.