SCHEMBL1379797

SCHEMBL1379797

CCCCCCCCOc1c(OC)cc([N+](=O)[O-])c2nccc(CC)c12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PLA2G4B P0C869 1/20 0.37
TXNRD1 Q16881 3/20 0.37
CTSB P07858 1/20 0.37
GSR P00390 1/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL6273903 0.99 LMNA (0.39) SMN1; SMN2LMNATHRATHRBGAA
SCHEMBL10942288 0.89 SMN1; SMN2 (0.39) SMN1; SMN2LMNATHRATHRBGAA
SCHEMBL10949964 0.89 SMN1; SMN2 (0.39) SMN1; SMN2LMNATHRATHRBGAA
SCHEMBL10949604 0.89 SMN1; SMN2 (0.39) SMN1; SMN2LMNATHRATHRBGAA
SCHEMBL10943626 0.88 LMNA (0.39) SMN1; SMN2LMNATHRATHRBGAA
SCHEMBL10943623 0.81 CTSB (0.48) SMN1; SMN2LMNAGAAMAPTCTSB
SCHEMBL10945856 0.81 CTSB (0.48) SMN1; SMN2LMNAGAAMAPTCTSB
SCHEMBL10942788 0.81 CTSB (0.48) SMN1; SMN2LMNAGAAMAPTCTSB
SCHEMBL4785005 0.81 TXNRD1 (0.35) SMN1; SMN2LMNATXNRD1GSRESR1
SCHEMBL4726606 0.80 LMNA (0.35) SMN1; SMN2LMNAGAAMAPTTXNRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4727233-B2 2011-07-20 JP claimed
JP-2006521284-A 2006-09-21 JP claimed
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 claimed
EP-1606263-A1 RING-SUBSTITUTED 8-AMINOQUINOLINE DERIVATIVES AS ANTIMALARIAL AGENTS Council of Scientific and Industrial Research (IN) 2005-12-21 EP claimed
WO-2004085402-A1 RING-SUBSTITUTED 8-AMINOQUNOLINE DERIVATES AS ANTIMALARIAL AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-10-07 WO claimed
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 claimed
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 (1 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 SMN1; SMN2 4098/4885LMNA 1368/4885THRA 4478/4885

“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.