SCHEMBL5083204

SCHEMBL5083204

COc1cc(NC(C)CCCN2C(=O)c3ccccc3C2=O)c2nc(C(C)C)ccc2c1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 2/20 0.37
DRD2 P14416 2/20 0.37
MAPK1 P28482 1/20 0.37
PABPC1 P11940 1/20 0.37
CASP7 P55210 1/20 0.37
CASP6 P55212 1/20 0.37
MAOB P27338 1/20 0.36
POLB P06746 2/20 0.36
NSD2 O96028 1/20 0.36
ALDH1A1 P00352 3/20 0.36
DRD3 P35462 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL4726096 0.92 HSP90AA1 (0.47) HSP90AA1HSP90AB1MAPTMEN1KMT2A
SCHEMBL4726838 0.87 HSP90AA1 (0.52) HSP90AA1HSP90AB1MAPTMEN1KMT2A
SCHEMBL5083304 0.80 MAOA (0.49) HSP90AA1HSP90AB1MAPTKDM4ECASP7
SCHEMBL5080488 0.80 HSP90AA1 (0.46) HSP90AA1HSP90AB1MAPTMEN1KMT2A
SCHEMBL10944231 0.75 HSP90AA1 (0.58) HSP90AA1HSP90AB1MAPTMEN1KMT2A
SCHEMBL11546682 0.75 HSP90AA1 (0.51) HSP90AA1HSP90AB1MAPTMEN1KMT2A
SCHEMBL6442964 0.75 MAOA (0.50) HSP90AA1HSP90AB1MAPTMEN1KMT2A
SCHEMBL10949994 0.74 HSP90AA1 (0.56) HSP90AA1HSP90AB1MAPTKDM4EPABPC1
SCHEMBL10944622 0.74 HSP90AA1 (0.56) HSP90AA1HSP90AB1MAPTKDM4EPABPC1
SCHEMBL6273928 0.73 IDO1 (0.68) HSP90AA1HSP90AB1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3066/4885MAPT 4223/4885
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN HSP90AA1 358/4885HSP90AB1 225/4885MAPT 9/4885

“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.