SCHEMBL5080672

SCHEMBL5080672

COc1cc([N+](=O)[O-])c2ncccc2c1C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
CTSB P07858 5/20 0.42
MAPT P10636 11/20 0.42
ALDH1A1 P00352 9/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
L3MBTL1 Q9Y468 6/20 0.42
LMNA P02545 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
GAA P10253 3/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
TNNI3 P19429 1/20 0.40
TNNT2 P45379 1/20 0.40
TNNC1 P63316 1/20 0.40

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
SCHEMBL4729833 0.99 KDM4E (0.44) KDM4ECTSBMAPTALDH1A1MEN1
SCHEMBL4782008 0.82 PDE3B (0.38) KDM4EMAPTALDH1A1L3MBTL1LMNA
SCHEMBL4727418 0.81 PDE3B (0.39) KDM4EMAPTALDH1A1LMNATDP1
SCHEMBL8901804 0.80 MEN1 (0.54) KDM4ECTSBMAPTALDH1A1MEN1
SCHEMBL5086649 0.80 NSD2 (0.58) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL4725352 0.78 NSD2 (0.59) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL1377784 0.78 MAPT (0.50) KDM4ECTSBMAPTALDH1A1MEN1
SCHEMBL10944706 0.77 MAPT (0.59) KDM4ECTSBMAPTALDH1A1MEN1
SCHEMBL5186834 0.77 CASP6 (0.60) KDM4ECTSBMAPTALDH1A1MEN1
SCHEMBL10945384 0.77 G6PD (0.60) KDM4ECTSBMAPTALDH1A1MEN1

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 KDM4E 64/4885CTSB 1021/4885MAPT 4223/4885
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN KDM4E 3242/4885CTSB 193/4885MAPT 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.