SCHEMBL2532882

SCHEMBL2532882

COC(=O)c1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
PTGS2 P35354 3/20 0.51
PTGS1 P23219 1/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ERN1 O75460 1/20 0.41
LMNA P02545 1/20 0.40
VCAM1 P19320 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
SCHEMBL2532881 1.00 CA1 (0.54) CA1CA2PTGS2PTGS1MEN1
SCHEMBL11409622 0.86 CA1 (0.67) CA1CA2PTGS2PTGS1MAPT
SCHEMBL11409620 0.86 CA1 (0.67) CA1CA2PTGS2PTGS1MAPT
SCHEMBL2533097 0.83 CA1 (0.68) CA1CA2PTGS2PTGS1MEN1
SCHEMBL2533095 0.83 CA1 (0.68) CA1CA2PTGS2PTGS1MEN1
SCHEMBL2532863 0.79 CA1 (0.56) CA1CA2PTGS2PTGS1MEN1
SCHEMBL2532862 0.79 CA1 (0.56) CA1CA2PTGS2PTGS1MEN1
SCHEMBL2390370 0.77 CA2 (0.76) CA1CA2PTGS2PTGS1KMT2A
SCHEMBL11438760 0.77 CA2 (0.76) CA1CA2PTGS2PTGS1KMT2A
SCHEMBL11438763 0.77 CA2 (0.76) CA1CA2PTGS2PTGS1KMT2A

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.