SCHEMBL631249

SCHEMBL631249

O=C([O-])Cn1nnnc1S.[Na+]

nearest known ligand 0.35

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CYP1A2 P05177 1/20 0.31
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL11228534 1.00 MAPK1 (0.35) MAPK1ALDH1A1HPGDCYP1A2KDM4C
Potassium Ion SCHEMBL8056549 0.96 MAPK1 (0.35) MAPK1ALDH1A1HPGDCYP1A2KDM4C
SCHEMBL10831559 0.81 ALDH1A1 (0.38) MAPK1ALDH1A1HPGDCYP1A2KDM4C
SCHEMBL829258 0.80 ALDH1A1 (0.47) MAPK1ALDH1A1HPGDCYP1A2KDM4C
SCHEMBL11356709 0.79 CA1 (0.34) CYP1A2
SCHEMBL8056548 0.78 ALDH1A1 (0.46) MAPK1ALDH1A1HPGDCYP1A2KDM4C
SCHEMBL7764225 0.78 MAPK1 (0.36) MAPK1ALDH1A1HPGDCYP1A2KDM4C
SCHEMBL7764233 0.78 MAPK1 (0.36) MAPK1ALDH1A1HPGDCYP1A2KDM4C
SCHEMBL10831333 0.78 MAPK1 (0.40) MAPK1ALDH1A1HPGD
SCHEMBL11363558 0.78 EPHX2 (0.36) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12410534-B2 Nickel electroplating compositions for rough nickel DUPONT ELECTRONIC MATERIALS INTERNATIONAL, LLC (US) 2025-09-09 US claimed
US-20240117516-A1 NICKEL ELECTROPLATING COMPOSITIONS FOR ROUGH NICKEL U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2024-04-11 US claimed
EP-4343038-A1 NICKEL ELECTROPLATING COMPOSITIONS FOR ROUGH NICKEL Rohm and Haas Electronic Materials LLC (US) 2024-03-27 EP claimed
US-12410534-B2 Nickel electroplating compositions for rough nickel DUPONT ELECTRONIC MATERIALS INTERNATIONAL, LLC (US) 2025-09-09 US disclosed
US-20240117516-A1 NICKEL ELECTROPLATING COMPOSITIONS FOR ROUGH NICKEL U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2024-04-11 US disclosed
EP-4343038-A1 NICKEL ELECTROPLATING COMPOSITIONS FOR ROUGH NICKEL Rohm and Haas Electronic Materials LLC (US) 2024-03-27 EP disclosed
EP-4299797-A2 SILVER ELECTROPLATING COMPOSITIONS AND METHODS FOR ELECTROPLATING ROUGH MATT SILVER Rohm and Haas Electronic Materials LLC (US) 2024-01-03 EP disclosed
US-9988535-B2 Thiol group-containing colored compound, metal nanowire, dispersion liquid, transparent conductive film, information input device, and electronic apparatus DEXERIALS CORPORATION (JP) 2018-06-05 US disclosed
US-20180082762-A1 Transparent Conductive Film, Dispersion Liquid, Information Input Device, and Electronic Equipment DEXERIALS CORPORATION (JP) 2018-03-22 US disclosed
US-20180037740-A1 PHTHALOCYANINE-BASED COMPLEX COMPOUND DEXERIALS CORPORATION (JP) 2018-02-08 US disclosed
US-20170069691-A1 DISPERSION LIQUID, TRANSPARENT CONDUCTIVE FILM, INPUT DEVICE, AND ORGANIC ELECTROLUMINESCENT LIGHTING DEVICE DEXERIALS CORPORATION (JP) 2017-03-09 US disclosed
US-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 US disclosed
EP-2419413-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP disclosed
EP-0980022-B1 Method for preparing silver halide emulsion and silver halide photographic material KONISHIROKU PHOTO IND (JP) 2004-05-06 EP disclosed
US-6524782-B1 No roller mark even during rapid processing at low replenish rates; no stain due to remained sensitizing dye; reacting silver salt and a halide salt in presence of fine silver halide grains containing gallium, indium and Group 8, 9, 10 KONICA CORPORATION (JP) 2003-02-25 US disclosed
US-6218092-B1 AUTOMATIC PROCESSING KONICA CORPORATION (JP) 2001-04-17 US disclosed
EP-0980022-A1 Method for preparing silver halide emulsion and silver halide photographic material KONICA CORPORATION (JP) 2000-02-16 EP disclosed
US-5962209-A TABULAR SILVER HALIDE GRAINS HAVING AN ASPECT RATIO OF 2 TO 15, (100) MAJOR FACES WITH AN EDGE RATIO OF 1 TO 2, AND A SILVER CHLORIDE CONTENT OF 50 MOL % OR MORE; AND SAID EMULSION LAYER FURTHER CONTAINING A LEUCO COMPOUND CAPABLE OF FORMING A KONICA CORPORATION (JP) 1999-10-05 US disclosed
US-5792793-A STABLE COMPLEX COMPRISING SILVER AND A THIOL COMPOUND; NONIRRITATING TO SKIN/MUCOUS MEMBRANES AND COMPATIBLE WITH CARRIER RESINS MEIJI MILK PRODUCTS CO., LTD. (JP) 1998-08-11 US disclosed
EP-0727427-A1 ANTIBACTERIAL, ANTIFUNGAL AND ANTIVIRAL AGENT MEIJI MILK PRODUCTS COMPANY LIMITED (JP) 1996-08-21 EP 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 (2 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-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES RBP4, RBP1, FABP4 MAPK1 4422/4885ALDH1A1 784/4885HPGD 3972/4885
US-20180037740-A1 PHTHALOCYANINE-BASED COMPLEX COMPOUND TCP1, MT-CO1, PBRM1 MAPK1 1398/4885ALDH1A1 1548/4885HPGD 3298/4885

“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.