SCHEMBL4728485

SCHEMBL4728485

COc1cc([N+](=O)[O-])c2nc(C34CC5CC(CC(C5)C3)C4)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.40
MAPT P10636 6/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 5/20 0.40
NPSR1 Q6W5P4 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
AGTR1 P30556 1/20 0.37
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
G6PD P11413 1/20 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
SCHEMBL4729614 0.79 IDO1 (0.43) LMNAMAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL4728487 0.77 MAPT (0.38) LMNAMAPTALDH1A1MAPK1NPSR1
SCHEMBL12120523 0.74 TXNRD1 (0.47) MAPTALDH1A1MAPK1NPSR1PIM1
SCHEMBL10622390 0.74 RELA (0.52) LMNAMAPTALDH1A1MAPK1NPSR1
SCHEMBL11545271 0.73 MAPT (0.49) LMNAMAPTALDH1A1MAPK1NPSR1
SCHEMBL11072978 0.73 MERTK (0.55) LMNAMAPTALDH1A1MAPK1NPSR1
SCHEMBL4728549 0.72 RELA (0.43) LMNAMAPTALDH1A1MAPK1NPSR1
SCHEMBL11544441 0.70 KMT2A (0.51) LMNAMAPTALDH1A1MAPK1NPSR1
SCHEMBL11545397 0.69 XDH (0.45) MAPTALDH1A1MAPK1NPSR1SMN1; SMN2
SCHEMBL1378967 0.68 HSP90AA1 (0.62) LMNAMAPTALDH1A1MAPK1NPSR1

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 LMNA 1368/4885MAPT 4223/4885ALDH1A1 673/4885
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN LMNA 415/4885MAPT 9/4885ALDH1A1 2348/4885

“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.