SCHEMBL14988672

SCHEMBL14988672

Nc1c(N=Nc2ccc(Br)cc2)cc(S(=O)(=O)[O-])c2ccccc12.[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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
▸ THRB known ✓ P10828 2/20 0.61
▸ SLC7A11 Q9UPY5 4/20 1.00
▸ APP P05067 2/20 0.81
▸ GLB1 P16278 1/20 0.81
▸ CHAT P28329 1/20 0.81
▸ ENPP2 Q13822 1/20 0.81
▸ PHLPP2 Q6ZVD8 1/20 0.81
▸ CTRC Q99895 1/20 0.81
▸ ALDH1A1 P00352 2/20 0.61
▸ HPGD P15428 2/20 0.61
▸ ALOX12 P18054 2/20 0.61
▸ RECQL P46063 2/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ MEN1 O00255 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ SNCA P37840 1/20 0.60

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
Congo Red Free Acid SCHEMBL29366109 0.90 APP (1.00) SLC7A11APPGLB1CHATENPP2
Congo Red Free Acid SCHEMBL25635 0.90 APP (1.00) SLC7A11APPGLB1CHATENPP2
Congo Red Free Acid SCHEMBL29395841 0.90 APP (1.00) SLC7A11APPGLB1CHATENPP2
Congo Red Free Acid SCHEMBL202229 0.90 APP (1.00) SLC7A11APPGLB1CHATENPP2
SCHEMBL14988686 0.89 APP (0.85) SLC7A11APPGLB1CHATENPP2
SCHEMBL14988320 0.88 SLC7A11 (0.78) SLC7A11APPGLB1CHATENPP2
SCHEMBL14988480 0.87 APP (0.81) SLC7A11APPGLB1CHATENPP2
SCHEMBL14988623 0.87 APP (0.81) SLC7A11APPGLB1CHATENPP2
SCHEMBL14988820 0.87 APP (0.81) SLC7A11APPGLB1CHATENPP2
Congo Red Free Acid SCHEMBL326085 0.87 APP (0.95) SLC7A11APPGLB1CHATENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573887-B2 Naphthalene derivative DAITO CHEMIX CORPORATION (JP) 2017-02-21 — — US disclosed
EP-2599771-B1 NAPHTHALENE DERIVATIVE DAITO CHEMIX CORP (JP) 2016-09-14 — — EP disclosed
US-20130184241-A1 Naphthalene Derivative KYOTO UNIVERSITY (JP) 2013-07-18 — — US disclosed
EP-2599771-A1 NAPHTHALENE DERIVATIVE Daito Chemix Corporation (JP) 2013-06-05 — — 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 (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-20130184241-A1 Naphthalene Derivative VCP, NOC2L, VAT1 THRB 4053/4885SLC7A11 3951/4885APP 237/4885

“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.

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