SCHEMBL4728487

SCHEMBL4728487

COc1cc([N+](=O)[O-])c2nc(C3C4CC5CC(C4)CC3C5)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
MAPK1 P28482 5/20 0.38
NPSR1 Q6W5P4 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.38
G6PD P11413 1/20 0.38
PKM P14618 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 7/20 0.36
HTT P42858 1/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
CYP19A1 P11511 1/20 0.35
LMNA P02545 5/20 0.35
SMN1; SMN2 Q16637 4/20 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
SCHEMBL4729616 0.80 CYP2D6 (0.35) MAPTNPSR1KMT2AMEN1KDM4E
SCHEMBL4728485 0.77 LMNA (0.40) MAPTMAPK1NPSR1KMT2AMEN1
SCHEMBL11545271 0.76 MAPT (0.49) MAPTMAPK1NPSR1KMT2AMEN1
SCHEMBL10622390 0.74 RELA (0.52) MAPTMAPK1NPSR1KMT2AMEN1
SCHEMBL12120523 0.74 TXNRD1 (0.47) MAPTMAPK1NPSR1KMT2AMEN1
SCHEMBL11072978 0.73 MERTK (0.55) MAPTMAPK1NPSR1KMT2AMEN1
SCHEMBL4728549 0.72 RELA (0.43) MAPTMAPK1NPSR1KMT2AMEN1
SCHEMBL11544441 0.70 KMT2A (0.51) MAPTMAPK1NPSR1KMT2AMEN1
SCHEMBL11545397 0.69 XDH (0.45) MAPTMAPK1NPSR1KMT2AALDH1A1
SCHEMBL1378967 0.68 HSP90AA1 (0.62) MAPTMAPK1NPSR1KMT2AMEN1

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 MAPT 4223/4885MAPK1 2225/4885NPSR1 4280/4885
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN MAPT 9/4885MAPK1 3681/4885NPSR1 1396/4885

“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.