SCHEMBL6505755

SCHEMBL6505755

COc1cc2c(cc1OC)-c1c(c3cc(O)ccc3n1CC(=O)[O-])C2=O.[Na+]

nearest known ligand 0.40

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 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 12/20 0.40
CHEK1 O14757 1/20 0.37
WEE1 P30291 1/20 0.37
TDP2 O95551 1/20 0.35
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ABCB11 O95342 1/20 0.34
ESR1 P03372 1/20 0.33
KDR P35968 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL6504264 0.89 PTGDR2 (0.41) TDP1CHEK1WEE1GAAALDH1A1
SCHEMBL6505761 0.88 PTGDR2 (0.41) TDP1CHEK1WEE1GAAALDH1A1
SCHEMBL6505751 0.88 PTGDR2 (0.41) TDP1CHEK1WEE1GAAALDH1A1
SCHEMBL6503691 0.81 TDP1 (0.40) TDP1CHEK1WEE1TDP2GAA
SCHEMBL6495062 0.80 WEE1 (0.50) TDP1CHEK1WEE1ESR1KDR
SCHEMBL6505681 0.79 NTRK1 (0.43) TDP1CHEK1WEE1GAAALDH1A1
SCHEMBL6498347 0.77 TDP1 (0.61) TDP1CHEK1WEE1ESR1MAPK1
SCHEMBL6202615 0.67 WEE1 (0.47) TDP1CHEK1WEE1ALDH1A1HSD17B10
SCHEMBL6504952 0.66 WEE1 (0.41) TDP1WEE1GAAALDH1A1MAPT
SCHEMBL6200718 0.66 L3MBTL1 (0.47) TDP1GAAALDH1A1MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844445-B2 Indenoindolone compounds LES LABORATOIRES SERVIER (FR) 2005-01-18 US disclosed
US-20020173531-A1 Indenoindolone compounds LES LABORATOIRES SERVIER (FR) 2002-11-21 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-20020173531-A1 Indenoindolone compounds MTNR1A, MTNR1B, CYP11B1 TDP1 2566/4885CHEK1 4552/4885WEE1 3618/4885

“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.