SCHEMBL3301869

SCHEMBL3301869

COc1cc(-n2nncc2-c2ccc(OP(=O)([O-])[O-])cc2)cc(OC)c1OC.[Na+].[Na+]

nearest known ligand 0.74

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 12)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.49
PTGS2 known ✓ P35354 1/20 0.49
CA12 known ✓ O43570 1/20 0.42
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.42
CA9 Q16790 1/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 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
SCHEMBL410743 0.89 LMNA (0.47) PTGS1PTGS2ALDH1A1SMN1; SMN2LMNA
SCHEMBL410418 0.88 ALDH1A1 (0.56) PTGS1PTGS2ALDH1A1SMN1; SMN2LMNA
SCHEMBL3301875 0.88 LMNA (0.46) PTGS1PTGS2ALDH1A1SMN1; SMN2LMNA
SCHEMBL406868 0.85 PTGS1 (0.57) PTGS1PTGS2ALDH1A1SMN1; SMN2LMNA
SCHEMBL411865 0.84 PTGS1 (0.56) PTGS1PTGS2ALDH1A1SMN1; SMN2LMNA
SCHEMBL411117 0.80 ALDH1A1 (0.67) PTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL13040943 0.80 FLT3 (0.54) PTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL407546 0.79 ALDH1A1 (0.52) PTGS1PTGS2ALDH1A1SMN1; SMN2LMNA
SCHEMBL408616 0.79 ALDH1A1 (0.52) PTGS1PTGS2ALDH1A1SMN1; SMN2POLB
SCHEMBL411799 0.79 ALDH1A1 (0.52) PTGS1PTGS2ALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093670-A1 Compounds for the treatment of angiogenesis SYNTA PHARMACEUTICALS CORP. 2010-04-15 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-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK PTGS1 36/4885PTGS2 50/4885CA12 2705/4885

“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.