SCHEMBL5600925

SCHEMBL5600925

CN(C)C(=[O+]n1nnc2ccccc21)N(C)C.F[P-](F)(F)(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 9/20 0.41
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
KEAP1 Q14145 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DGAT1 O75907 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
THPO P40225 1/20 0.38
CYP4Z1 Q86W10 1/20 0.38
KCNMA1 Q12791 1/20 0.36
MGAM O43451 3/20 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
SCHEMBL78773 0.94 SLC9A1 (0.46) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL30378712 0.94 SLC9A1 (0.46) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL1462681 0.92 SLC9A1 (0.44) SLC9A1POLBMAPK1ATMKEAP1
Bromide SCHEMBL5514455 0.92 SLC9A1 (0.44) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL5090298 0.92 SLC9A1 (0.44) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL44479 0.91 SLC9A1 (0.41) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL1941412 0.91 SLC9A1 (0.41) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL2824611 0.91 SLC9A1 (0.41) SLC9A1POLBMAPK1ATMKEAP1
Fluoride SCHEMBL4594157 0.91 SLC9A1 (0.43) SLC9A1POLBMAPK1ATMKEAP1
Fluoride Ion SCHEMBL619776 0.91 SLC9A1 (0.43) SLC9A1POLBMAPK1ATMKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12551490-B2 Heterocyclic modulators of lipid synthesis SAGIMET BIOSCIENCES INC. (US) 2026-02-17 US disclosed
US-20240400552-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2024-12-05 US disclosed
US-20230405016-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2023-12-21 US disclosed
US-11622968-B2 Heterocyclic modulators of lipid synthesis SAGIMET BIOSCIENCES INC. (US) 2023-04-11 US disclosed
US-20220340556-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2022-10-27 US disclosed
US-20220296605-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2022-09-22 US disclosed
US-11034690-B2 Heterocyclic modulators of lipid synthesis Saginiet Biosciences Inc. (US) 2021-06-15 US disclosed
EP-3190108-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC (US) 2021-05-19 EP disclosed
US-20190308969-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2019-10-10 US disclosed
US-20190269694-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2019-09-05 US disclosed
US-6472435-B1 ANTITUMOR ANTIPROLIFERATION AGENT FORMED BY AMIDATION OF CARBOXY ACID WITH AROMATIC AMINE COMPOUND ASTRAZENECA AB (SE) 2002-10-29 US disclosed
US-6346633-B1 TERT-AMINOPHENYLESTER OF ACID ASTRAZENECA AB (SE) 2002-02-12 US disclosed
EP-1155011-A1 DI- AND TRIPEPTIDE NITRILE DERIVATIVES AS INHIBITORS OF CATHEPSIN L AND CATHEPSIN S AstraZeneca AB (SE) 2001-11-21 EP disclosed
EP-1155010-A1 ACETAMIDO ACETONITRILE DERIVATIVES AS INHIBITORS OF CATHEPSIN L AND/OR CATHEPSIN S AstraZeneca AB (SE) 2001-11-21 EP disclosed
EP-1064257-A1 ANTI-TUMOUR AGENTS AstraZeneca AB (SE) 2001-01-03 EP disclosed
EP-1064253-A1 ANTI-TUMOUR AGENTS AstraZeneca AB (SE) 2001-01-03 EP disclosed
WO-2000049008-A1 DI- AND TRIPEPTIDE NITRILE DERIVATIVES AS INHIBITORS OF CATHEPSIN L AND CATHEPSIN S ASTRAZENECA AB (SE) 2000-08-24 WO disclosed
WO-2000049007-A1 ACETAMIDO ACETONITRILE DERIVATIVES AS INHIBITORS OF CATHEPSIN L AND/OR CATHEPSIN S ASTRAZENECA AB (SE) 2000-08-24 WO disclosed
WO-1999048857-A1 ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 1999-09-30 WO disclosed
WO-1999048860-A1 ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 1999-09-30 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 (9 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-20220340556-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 SLC9A1 4533/4885POLB 2667/4885MAPK1 2563/4885
US-20230405016-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 SLC9A1 4540/4885POLB 3095/4885MAPK1 2090/4885
US-20240400552-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 SLC9A1 4533/4885POLB 2667/4885MAPK1 2563/4885
US-11034690-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, SCD SLC9A1 4532/4885POLB 2887/4885MAPK1 2223/4885
US-20220296605-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, SCD SLC9A1 4532/4885POLB 2887/4885MAPK1 2223/4885
US-12551490-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, FADS2 SLC9A1 676/4885POLB 3427/4885MAPK1 911/4885
US-20190308969-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, SCD SLC9A1 4499/4885POLB 2946/4885MAPK1 2065/4885
US-20190269694-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, SCD SLC9A1 4532/4885POLB 2887/4885MAPK1 2223/4885
US-11622968-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, SCD SLC9A1 4532/4885POLB 2887/4885MAPK1 2223/4885

“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.