SCHEMBL2532863

SCHEMBL2532863

COC(=O)c1ccc(N=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
PTGS2 P35354 2/20 0.54
PTGS1 P23219 1/20 0.54
LMNA P02545 2/20 0.51
MAPT P10636 7/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48
PTPN11 Q06124 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MITF O75030 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
RAF1 P04049 1/20 0.47

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
SCHEMBL2532862 1.00 CA1 (0.56) CA1CA2PTGS2PTGS1LMNA
SCHEMBL2532329 0.86 CA1 (0.56) CA1CA2PTGS2PTGS1MAPT
SCHEMBL2532332 0.86 CA1 (0.56) CA1CA2PTGS2PTGS1MAPT
SCHEMBL2533095 0.80 CA1 (0.68) CA1CA2PTGS2PTGS1MAPT
SCHEMBL2533097 0.80 CA1 (0.68) CA1CA2PTGS2PTGS1MAPT
SCHEMBL51755 0.79 LMNA (0.72) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL2532881 0.79 CA1 (0.54) CA1CA2PTGS2PTGS1LMNA
SCHEMBL2532882 0.79 CA1 (0.54) CA1CA2PTGS2PTGS1LMNA
SCHEMBL11416710 0.79 CA1 (0.66) CA1CA2PTGS2PTGS1LMNA
SCHEMBL11416708 0.79 CA1 (0.66) CA1CA2PTGS2PTGS1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558449-B1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-05 EP disclosed
US-8586747-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2558449-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2013-02-20 EP disclosed
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES Hoffmann-La Roche Inc (US) 2013-01-24 US disclosed
US-8344137-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMAN-LA ROCHE INC. (US) 2013-01-01 US disclosed
WO-2011128251-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO disclosed
US-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2011-10-20 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-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 CA1 4320/4885CA2 1889/4885PTGS2 1675/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 CA1 4320/4885CA2 1889/4885PTGS2 1675/4885

“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.