SCHEMBL2462952

SCHEMBL2462952

CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(COP(=O)([O-])[O-])c12.[Na+].[Na+]

nearest known ligand 0.37

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 19)

geneUniProtsupporting neighboursconfidence
PDE4D known ✓ Q08499 1/20 0.32
CHRM1 P11229 1/20 0.37
MAOB P27338 3/20 0.35
RAB9A P51151 2/20 0.33
CLK1 P49759 1/20 0.33
MAOA P21397 2/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
GFER P55789 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
MET P08581 5/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
HSD17B10 Q99714 1/20 0.30
AXL P30530 2/20 0.30

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
SCHEMBL2488754 0.99 CHRM1 (0.37) CHRM1MAOBRAB9ACLK1MAOA
Potassium Ion SCHEMBL2491473 0.99 CHRM1 (0.37) CHRM1MAOBRAB9ACLK1MAOA
SCHEMBL2464053 0.99 CHRM1 (0.37) CHRM1MAOBRAB9ACLK1MAOA
SCHEMBL2491717 0.93 FFAR4 (0.35) MAOBRAB9AMAOAKDM4ENPC1
SCHEMBL2584501 0.93 CHRM1 (0.38) CHRM1RAB9AGFERMETPTGDR2
SCHEMBL2458317 0.91 CHRM1 (0.39) CHRM1MAOBRAB9ACLK1MAOA
SCHEMBL2461831 0.90 CHRM1 (0.39) CHRM1MAOBRAB9ACLK1MAOA
SCHEMBL2494743 0.89 CHRM1 (0.34) CHRM1MAOBRAB9APDE4D
SCHEMBL2496301 0.89 MAOB (0.36) CHRM1MAOBRAB9ACLK1MAOA
SCHEMBL17970287 0.88 CHRM1 (0.41) CHRM1MAOBRAB9ACLK1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364298-B1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2016-08-03 EP disclosed
US-9018229-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-04-28 US disclosed
US-RE45108-E1 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
US-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-02-13 US disclosed
US-8592593-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-11-26 US disclosed
US-20130005675-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 US disclosed
US-8304546-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-06 US disclosed
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 US disclosed
EP-2364298-A1 Quinolone compound and pharmaceutical composition Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
WO-2010064735-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO 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 (3 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-20130005675-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 PDE4D 530/4885CHRM1 170/4885MAOB 230/4885
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 PDE4D 530/4885CHRM1 170/4885MAOB 230/4885
US-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 PDE4D 530/4885CHRM1 170/4885MAOB 230/4885

“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.