SCHEMBL4413030

SCHEMBL4413030

Cc1cc(C(=O)ON2C(=O)CCC2=O)cc(C)c1-c1cccc2nc3ccccc3c(C(=O)O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 5/20 0.36
LMNA P02545 2/20 0.36
PLA2G1B P04054 1/20 0.36
HTT P42858 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
PDE10A Q9Y233 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.34
TTR P02766 1/20 0.34
ALOX15 P16050 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
SCHEMBL29112027 0.83 KMT2A (0.34) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL7118784 0.80 KDM4E (0.40) KMT2AMEN1KDM4ELMNAPLA2G1B
SCHEMBL7781667 0.78 TERT (0.38) LMNATTR
SCHEMBL3904685 0.77 PDE10A (0.46) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL4415782 0.76 PREP (0.33)
SCHEMBL7533773 0.75 LMNA (0.38) KMT2AMEN1KDM4ELMNAPLA2G1B
SCHEMBL3907398 0.75 PDE10A (0.44) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL3143334 0.75 KDM4E (0.44) KMT2AMEN1KDM4ELMNAPDE10A
SCHEMBL3900538 0.73 MAPT (0.45) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL8441018 0.73 POLR1A (0.34) KMT2AMEN1KDM4ELMNAPLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0298708-B1 METHOD FOR DETERMINING THYROXINE UPTAKE Ciba Corning Diagnostics Corp. (US) 1992-11-11 EP claimed
US-20090318627-A1 SOLID PHASE SYNTHESIS OF ACRIDINIUM DERIVATIVES SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2009-12-24 US disclosed
EP-1994007-A2 SOLID PHASE SYNTHESIS OF ACRIDINIUM DERIVATIVES Siemens Healthcare Diagnostics Inc. (US) 2008-11-26 EP disclosed
WO-2007092847-A2 SOLID PHASE SYNTHESIS OF ACRIDINIUM DERIVATIVES SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2007-08-16 WO disclosed
US-4927769-A OXIDIZING AN ACRIDINIUM ESTER IN THE PRESENCE OF A CATIONIC SURFACTANT, NONIONIC SURFACTANT OR SULFATED PRIMARY ALCOHOL CIBA CORNING DIAGNOSTICS CORP. (US) 1990-05-22 US disclosed
US-4824777-A Method for determining thyroxine uptake CIBA CORNING DIAGNOSTICS CORP. (US) 1989-04-25 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-20090318627-A1 SOLID PHASE SYNTHESIS OF ACRIDINIUM DERIVATIVES ACR, SSU72, SP1 RAB9A 3834/4885NPC1 2421/4885KMT2A 3708/4885

“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.