SCHEMBL18342129

SCHEMBL18342129

CS(=O)(=O)[O-].CS(=O)(=O)[O-].Nc1ccccc1-c1ccccc1.[Pd+2]

nearest known ligand 0.65

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
HSD17B10 Q99714 1/20 0.65
PTGS2 P35354 9/20 0.53
L3MBTL1 Q9Y468 1/20 0.44
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
PTGS1 P23219 1/20 0.41
CA12 O43570 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA1 P00915 2/20 0.41
ADAMTS4 O75173 1/20 0.40
LMNA P02545 2/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL16333917 0.86 ALDH1A1 (0.68) ALDH1A1HSD17B10PTGS2L3MBTL1PDE4A
SCHEMBL18342130 0.85 ALDH1A1 (0.65) ALDH1A1HSD17B10PTGS2L3MBTL1PDE4A
SCHEMBL29539416 0.83 ALDH1A1 (0.94) ALDH1A1HSD17B10L3MBTL1LMNASMN1; SMN2
SCHEMBL30985618 0.83 ALDH1A1 (0.94) ALDH1A1HSD17B10L3MBTL1LMNASMN1; SMN2
Sulfuric Acid SCHEMBL28101132 0.82 ALDH1A1 (0.74) ALDH1A1HSD17B10PTGS2L3MBTL1CA12
Hydrochloric Acid SCHEMBL15571781 0.81 ALDH1A1 (0.90) ALDH1A1HSD17B10L3MBTL1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL29427302 0.81 ALDH1A1 (0.90) ALDH1A1HSD17B10L3MBTL1LMNASMN1; SMN2
Methylamine SCHEMBL9562971 0.81 ALDH1A1 (0.90) ALDH1A1HSD17B10PTGS2L3MBTL1PDE4A
SCHEMBL25981 0.81 ALDH1A1 (1.00) ALDH1A1HSD17B10L3MBTL1LMNASMN1; SMN2
SCHEMBL28465796 0.81 ALDH1A1 (1.00) ALDH1A1HSD17B10L3MBTL1LMNASMN1; 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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111732573-B Quinolone acid-aminopyrimidine compound and preparation method and application thereof 复旦大学 2022-09-16 CN claimed
US-20210332040-A1 SUBSTITUTED 4-AMINO-1H-IMIDAZO[4,5-c]QUINOLINE COMPOUNDS AND IMPROVED METHODS FOR THEIR PREPARATION INNATE TUMOR IMMUNITY INC (US) 2021-10-28 US claimed
EP-3837245-A1 SUBSTITUED 4-AMINO-1H-IMIDAZO[4,5-C]QUINOLINE COMPOUNDS AND IMPROVED METHODS FOR THEIR PREPARATION Innate Tumor Immunity, Inc. (US) 2021-06-23 EP claimed
CN-112888677-A Substituted 4-amino-1H-imidazo [4,5-c ] quinoline compounds and improved process for their preparation 先天肿瘤免疫公司 2021-06-01 CN claimed
CN-111732573-A Quinolone acid-aminopyrimidine compound and preparation method and application thereof 复旦大学 2020-10-02 CN claimed
WO-2020037094-A1 SUBSTITUED 4-AMINO-1H-IMIDAZO[4,5-C]QUINOLINE COMPOUNDS AND IMPROVED METHODS FOR THEIR PREPARATION INNATE TUMOR IMMUNITY, INC. (US) 2020-02-20 WO claimed
CN-122059998-A Palladium complex and preparation method and application thereof 云南贵金属实验室有限公司 2026-05-19 CN disclosed
US-20260109708-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS DEGRADERS OF MK2 KINASE CELGENE CORP (US) 2026-04-23 US disclosed
US-12559486-B2 Tau-protein targeting compounds and associated methods of use ARVINAS OPERATIONS, INC. (US) 2026-02-24 US disclosed
US-20260028343-A1 Substituted Imidazopyrazine Compounds as Ligand Directed Degraders of IRAK3 CELGENE CORPORATION (US) 2026-01-29 US disclosed
EP-4683909-A2 ATM KINASE INHIBITORS Eberhard Karls Universität Tübingen (DE) 2026-01-28 EP disclosed
EP-4662207-A2 COMPOUNDS AND COMPOSITIONS USEFUL AS DEGRADERS OF MK2 KINASE Celgene Corporation (US) 2025-12-17 EP disclosed
US-12473289-B2 Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use AMGEN INC. (US) 2025-11-18 US disclosed
US-10544130-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-01-28 US disclosed
CN-106661018-B Pyrrolo- [2,3-C] pyridine as neurofibrillary tangles imaging agent 默沙东公司 2019-07-19 CN disclosed
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-16 US disclosed
US-10221163-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-08-30 US disclosed
EP-3313832-A1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-05-02 EP disclosed
WO-2016210215-A1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 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-10544130-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 ALDH1A1 277/4885HSD17B10 910/4885PTGS2 3038/4885
US-20260028343-A1 Substituted Imidazopyrazine Compounds as Ligand Directed Degraders of IRAK3 IRAK3, IRAK2, IRAK1 ALDH1A1 1519/4885HSD17B10 2414/4885PTGS2 3772/4885
US-10221163-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 ALDH1A1 259/4885HSD17B10 875/4885PTGS2 2982/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 ALDH1A1 277/4885HSD17B10 910/4885PTGS2 3038/4885
US-12559486-B2 Tau-protein targeting compounds and associated methods of use UBQLN2, UBQLN1, CRBN ALDH1A1 3566/4885HSD17B10 4197/4885PTGS2 4809/4885
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 ALDH1A1 259/4885HSD17B10 875/4885PTGS2 2982/4885
US-12473289-B2 Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use SCD5, SCD, FADS2 ALDH1A1 326/4885HSD17B10 49/4885PTGS2 775/4885
US-20260109708-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS DEGRADERS OF MK2 KINASE PSME2, MKRN3, RPS6KA2 ALDH1A1 3760/4885HSD17B10 1399/4885PTGS2 1444/4885
US-20210332040-A1 SUBSTITUTED 4-AMINO-1H-IMIDAZO[4,5-c]QUINOLINE COMPOUNDS AND IMPROVED METHODS FOR THEIR PREPARATION NLRP3, NOD1, NLRP1 ALDH1A1 3065/4885HSD17B10 4099/4885PTGS2 1991/4885

“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.