SCHEMBL6368302

SCHEMBL6368302

O=c1cc[nH]c2c([S-])cccc12.[Na+]

nearest known ligand 0.61

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 20)

geneUniProtsupporting neighboursconfidence
ADORA2A known ✓ P29274 1/20 0.33
ADORA1 known ✓ P30542 1/20 0.33
CCR8 P51685 1/20 0.57
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 3/20 0.54
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
DAO P14920 1/20 0.36
PARP1 P09874 4/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
BLM P54132 1/20 0.35
PARP15 Q460N3 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL11205036 0.79 CCR8 (0.67) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL1245388 0.76 CCR8 (0.61) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL15371410 0.74 CCR8 (0.59) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL6537697 0.74 CCR8 (0.59) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL15252375 0.74 KDM4E (0.61) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL29933981 0.74 KDM4E (0.61) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL15367385 0.74 CCR8 (0.59) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL30774416 0.74 CCR8 (1.00) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL19318056 0.74 CCR8 (1.00) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL6363005 0.73 HSD17B10 (0.59) CCR8KMT2AHSD17B10KDM4ESMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075334-A1 8-(1H-Benzimidazol-2-ylsulfanyl)-4(1H)-quinolinone derivatives; jun N-terminal kinase inhibitors; Alzheimer*s, Parkinson*s, and Huntington*s disease; amyotrophic lateral sclerosis, antiepileptic agents; hemorrhage, seizures, traumatic brain injuries or haemorrhaging strokes ASTRAZENECA AB (SE) 2005-04-07 US disclosed
EP-1458712-A2 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003051277-A2 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-06-26 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 (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-20050075334-A1 8-(1H-Benzimidazol-2-ylsulfanyl)-4(1H)-quinolinone derivatives; jun N-terminal kinase inhibitors; Alzheimer*s, Parkinson*s, and Huntington*s disease; amyotrophic lateral sclerosis, antiepileptic agents; hemorrhage, seizures, traumatic brain injuries or haemorrhaging strokes PARK7, HYPK, BCL2A1 ADORA2A 3084/4885ADORA1 3151/4885CCR8 2234/4885

“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.