SCHEMBL5162903

SCHEMBL5162903

O=C([O-])c1cccc(N2C(=O)c3cccc4c(Br)ccc(c34)C2=O)c1.[Na+]

nearest known ligand 0.57

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
TLR9 known ✓ Q9NR96 3/20 0.45
THRB known ✓ P10828 1/20 0.45
KMT2A Q03164 8/20 0.57
MEN1 O00255 7/20 0.57
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 5/20 0.57
RXFP1 Q9HBX9 3/20 0.51
L3MBTL1 Q9Y468 6/20 0.48
POLB P06746 3/20 0.48
RECQL P46063 2/20 0.48
CASP6 P55212 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
USP2 O75604 4/20 0.47
KEAP1 Q14145 3/20 0.47
NFE2L2 Q16236 3/20 0.47
CYP1B1 Q16678 4/20 0.47
BRD1 O95696 1/20 0.46
TAF1 P21675 1/20 0.46

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
SCHEMBL5159240 0.88 KDM4E (0.56) KMT2AMEN1ALDH1A1KDM4ERXFP1
SCHEMBL5168401 0.88 KMT2A (0.73) KMT2AMEN1ALDH1A1KDM4ERXFP1
SCHEMBL28563147 0.81 NPC1 (0.70) KMT2AMEN1ALDH1A1KDM4ERXFP1
SCHEMBL5160886 0.80 NPC1 (0.52) KMT2AMEN1ALDH1A1KDM4ERXFP1
SCHEMBL1518037 0.79 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1KDM4ERXFP1
SCHEMBL5538804 0.77 KDM4E (0.74) KMT2AMEN1ALDH1A1KDM4ERXFP1
SCHEMBL22581147 0.76 KDM4E (0.57) KMT2AMEN1ALDH1A1KDM4ERXFP1
SCHEMBL14159196 0.75 POLB (0.63) KMT2AMEN1ALDH1A1KDM4ERXFP1
SCHEMBL25742121 0.74 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1KDM4ERXFP1
SCHEMBL17125489 0.73 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1KDM4ERXFP1

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-20070123514-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-05-31 US claimed
WO-2007030939-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2007-03-22 WO claimed
US-20070123514-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-05-31 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-20070123514-A1 Methods of modulating neurotrophin-mediated activity NGF, BDNF, NTRK2 TLR9 828/4885THRB 768/4885KMT2A 4267/4885

“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.