SCHEMBL6515026

SCHEMBL6515026

S=C([S-])NN1CCCCC1.[Na+]

nearest known ligand 0.58

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 12)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 13/20 0.58
CA1 known ✓ P00915 12/20 0.58
CA12 known ✓ O43570 12/20 0.58
CA9 Q16790 12/20 0.58
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MGLL Q99685 2/20 0.32
PIN1 Q13526 1/20 0.32
PHGDH O43175 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALDH2 P05091 1/20 0.32
FBP1 P09467 1/20 0.32

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
SCHEMBL3879352 0.97 CA2 (0.60) CA2CA1CA12CA9HTT
SCHEMBL16290412 0.92 CA2 (0.60) CA2CA1CA12CA9HTT
SCHEMBL27470250 0.92 CA2 (0.60) CA2CA1CA12CA9HTT
Potassium Ion SCHEMBL7562133 0.92 CA2 (0.64) CA2CA1CA12CA9HTT
Potassium Ion SCHEMBL11805822 0.92 CA2 (0.64) CA2CA1CA12CA9HTT
Ammonia Solution, Strong SCHEMBL25306979 0.90 CA2 (0.58) CA2CA1CA12CA9HTT
SCHEMBL4437819 0.89 CA2 (0.52) CA2CA1CA12CA9HTT
SCHEMBL4443515 0.86 CA2 (0.54) CA2CA1CA12CA9HTT
SCHEMBL9753805 0.76 CA12 (0.91) CA2CA1CA12CA9HTT
SCHEMBL3772058 0.76 CA12 (0.95) CA2CA1CA12CA9HTT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506132-B1 Method for removal of mercury in exhaust gas ORIENTAL TECHNICAL RESEARCH IN (JP) 1996-02-14 EP claimed
JP-5208117-A None JP disclosed
CN-110683975-B Synthesis method of dialkyl amino alkyl dithioformate 成都理工大学 2021-04-09 CN disclosed
CN-110683975-A Synthesis method of dialkyl amino alkyl dithioformate 成都理工大学 2020-01-14 CN disclosed
EP-2240258-B1 THE COMPLEXATION AND REMOVAL OF HEAVY METALS FROM FLUE GAS DESULFURIZATION SYSTEMS NALCO CO (US) 2015-08-12 EP disclosed
US-20050008568-A1 Technetium or rhenium complexes, radiopharmaceutical products comprising them SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-13 US disclosed
EP-1453841-A1 TECHNETIUM OR RHENIUM COMPLEXES, RADIOPHARMACEUTICAL PRODUCTS COMPRISING THEM SCHERING AKTIENGESELLSCHAFT (DE) 2004-09-08 EP disclosed
WO-2003044031-A1 TECHNETIUM OR RHENIUM COMPLEXES, RADIOPHARMACEUTICAL PRODUCTS COMPRISING THEM SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-30 WO disclosed
EP-0506132-B1 Method for removal of mercury in exhaust gas ORIENTAL TECHNICAL RESEARCH IN (JP) 1996-02-14 EP disclosed
JP-H05208117-A REMOVAL OF MERCURY IN EXHAUST GAS ORIENTAL GIKEN KOGYO KK 1993-08-20 JP disclosed
EP-0506132-A1 Method for removal of mercury in exhaust gas Oriental Technical Research Industry Co., Ltd. (JP) 1992-09-30 EP disclosed
US-4683316-A Method of preparation of dithiocarbamate complexes of molybdenum (VI) EXXON RESEARCH AND ENGINEERING COMPANY (US) 1987-07-28 US 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 (1 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-20050008568-A1 Technetium or rhenium complexes, radiopharmaceutical products comprising them TSHR, MRPS35, TFRC CA2 1554/4885CA1 2501/4885CA12 1518/4885

“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.