SCHEMBL2907058

SCHEMBL2907058

Nc1nc2c(=O)c3cc(Cl)ccc3oc2cc1C(=O)[O-].[Na+]

nearest known ligand 0.46

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
▸ CA1 known ✓ P00915 4/20 0.42
▸ CA2 known ✓ P00918 4/20 0.42
▸ CA12 known ✓ O43570 2/20 0.42
▸ CA4 known ✓ P22748 2/20 0.42
▸ TTR P02766 2/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CA3 P07451 2/20 0.42
▸ CA6 P23280 2/20 0.42
▸ CA5A P35218 2/20 0.42
▸ CA7 P43166 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA13 Q8N1Q1 2/20 0.42
▸ CA14 Q9ULX7 2/20 0.42
▸ CA5B Q9Y2D0 2/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 2/20 0.41

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
SCHEMBL11365313 0.88 KDM4E (0.49) TTRMEN1KMT2ANPC1RAB9A
SCHEMBL2907889 0.88 TTR (0.54) TTRMEN1KMT2ANPC1RAB9A
SCHEMBL2907061 0.87 TTR (0.53) TTRMEN1KMT2ANPC1RAB9A
SCHEMBL2907068 0.87 TTR (0.53) TTRMEN1KMT2ANPC1RAB9A
SCHEMBL2908306 0.83 TBK1 (0.57) TTRNPC1RAB9AKDM4ETBK1
SCHEMBL11108156 0.81 MAOB (0.56) TTRMEN1KMT2ANPC1RAB9A
SCHEMBL11356857 0.77 TTR (0.56) TTRMEN1KMT2ANPC1RAB9A
SCHEMBL11549501 0.76 MEN1 (0.70) TTRMEN1KMT2ANPC1RAB9A
SCHEMBL11375422 0.76 GPR35 (0.46) TTRMEN1KMT2ANPC1RAB9A
SCHEMBL11352938 0.75 KDM4E (0.48) TTRMEN1KMT2ANPC1RAB9A

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
EP-1968981-B1 AZAXANTHONES AND USE THEREOF FOR TREATING TUMORS SUPRATEK PHARMA INC (CA) 2010-08-18 — — EP disclosed
US-7772255-B2 Method of treating tumors with azaxanthones SUPRATEK PHARMA, INC. (CA) 2010-08-10 — — US disclosed
US-20090042923-A1 Method of Treating Tumors with Azaxanthones SEMOV ALEXANDRE 2009-02-12 — — US disclosed
US-20070135473-A1 Method of treating tumors with azaxanthones SUPRATEK PHARMA, INC. 2007-06-14 — — 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 (2 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-20070135473-A1 Method of treating tumors with azaxanthones S100A4, S100B, S100P CA1 205/4885CA2 368/4885CA12 53/4885
US-20090042923-A1 Method of Treating Tumors with Azaxanthones S100A4, S100P, S100B CA1 262/4885CA2 363/4885CA12 39/4885

“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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