SCHEMBL4726096

SCHEMBL4726096

COc1cc(NC(C)CCCN2C(=O)c3ccccc3C2=O)c2nc(C(C)C)ccc2c1OC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
PABPC1 P11940 1/20 0.45
CASP7 P55210 1/20 0.45
CASP6 P55212 1/20 0.45
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NSD2 O96028 1/20 0.41
MAOB P27338 4/20 0.37
MAOA P21397 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
DRD2 P14416 1/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL5083204 0.92 HSP90AA1 (0.38) HSP90AA1HSP90AB1PABPC1CASP7CASP6
SCHEMBL5080488 0.88 HSP90AA1 (0.46) HSP90AA1HSP90AB1PABPC1CASP7CASP6
SCHEMBL5080779 0.81 HSP90AA1 (0.53) HSP90AA1HSP90AB1PABPC1CASP7CASP6
SCHEMBL10944231 0.80 HSP90AA1 (0.58) HSP90AA1HSP90AB1PABPC1CASP7CASP6
SCHEMBL4726838 0.79 HSP90AA1 (0.52) HSP90AA1HSP90AB1PABPC1CASP7CASP6
SCHEMBL6442964 0.79 MAOA (0.50) HSP90AA1HSP90AB1PABPC1CASP7CASP6
SCHEMBL10944622 0.78 HSP90AA1 (0.56) HSP90AA1HSP90AB1PABPC1CASP7CASP6
SCHEMBL10949994 0.78 HSP90AA1 (0.56) HSP90AA1HSP90AB1PABPC1CASP7CASP6
SCHEMBL10941487 0.77 HSP90AA1 (0.54) HSP90AA1HSP90AB1PABPC1CASP7CASP6
SCHEMBL10942299 0.77 HSP90AA1 (0.54) HSP90AA1HSP90AB1PABPC1CASP7CASP6

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
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
US-6979740-B2 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH (IN) 2005-12-27 US disclosed
EP-1606263-A1 RING-SUBSTITUTED 8-AMINOQUINOLINE DERIVATIVES AS ANTIMALARIAL AGENTS Council of Scientific and Industrial Research (IN) 2005-12-21 EP disclosed
WO-2004085402-A1 RING-SUBSTITUTED 8-AMINOQUNOLINE DERIVATES AS ANTIMALARIAL AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-10-07 WO disclosed
US-20040192724-A1 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH DEPARTMENT OF PHARMACEUTICAL TECHNOLOGY (IN) 2004-09-30 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-20040192724-A1 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents QDPR, SLC11A2, CYP2C8 HSP90AA1 3159/4885HSP90AB1 3066/4885PABPC1 3896/4885
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN HSP90AA1 358/4885HSP90AB1 225/4885PABPC1 2522/4885

“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.