SCHEMBL5158038

SCHEMBL5158038

O=C([O-])c1cccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)c1.[Na+]

nearest known ligand 0.72

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
CA12 known ✓ O43570 4/20 0.60
CA1 known ✓ P00915 3/20 0.60
CA2 known ✓ P00918 3/20 0.60
SCN2A known ✓ Q99250 1/20 0.50
THRB known ✓ P10828 1/20 0.50
MEN1 O00255 5/20 0.72
KMT2A Q03164 5/20 0.72
POLB P06746 5/20 0.72
L3MBTL1 Q9Y468 3/20 0.72
CASP6 P55212 2/20 0.72
CA9 Q16790 4/20 0.60
CLTC Q00610 2/20 0.59
TDP1 Q9NUW8 2/20 0.55
NTRK1 P04629 1/20 0.53
NGFR P08138 1/20 0.53
BRD1 O95696 1/20 0.51
TAF1 P21675 1/20 0.51
BRPF1 P55201 1/20 0.51
MAPT P10636 3/20 0.50
FTO Q9C0B1 2/20 0.50

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
SCHEMBL4235316 0.90 MEN1 (0.89) MEN1KMT2APOLBL3MBTL1CASP6
SCHEMBL5144919 0.85 SCN2A (0.70) MEN1KMT2APOLBL3MBTL1CASP6
SCHEMBL5161227 0.84 MEN1 (0.75) MEN1KMT2APOLBL3MBTL1CASP6
SCHEMBL5167037 0.84 MEN1 (1.00) MEN1KMT2APOLBL3MBTL1CASP6
SCHEMBL717142 0.83 CA12 (0.74) MEN1KMT2APOLBL3MBTL1CASP6
SCHEMBL5162977 0.83 CLTC (0.63) MEN1KMT2APOLBL3MBTL1CASP6
SCHEMBL4235535 0.82 CLTC (0.73) MEN1KMT2APOLBL3MBTL1CASP6
SCHEMBL10082294 0.81 CA12 (0.61) MEN1KMT2APOLBL3MBTL1CASP6
SCHEMBL14159191 0.80 CA12 (0.73) MEN1KMT2APOLBL3MBTL1CASP6
SCHEMBL5160572 0.80 CA12 (0.69) MEN1KMT2APOLBL3MBTL1CASP6

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 CA12 1700/4885CA1 847/4885CA2 2144/4885

“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.