SCHEMBL2531937

SCHEMBL2531937

CNS(=O)(=O)c1ccc(C2Nc3ccc(C(=O)O)cc3CC2(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.35
MEN1 O00255 6/20 0.35
POLB P06746 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
PLA2G1B P04054 2/20 0.35
ATG4B Q9Y4P1 2/20 0.35
CASP3 P42574 1/20 0.35
CASP6 P55212 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
BCL2L1 Q07817 2/20 0.34
MCL1 Q07820 2/20 0.34
SAE1 Q9UBE0 2/20 0.34
UBA2 Q9UBT2 2/20 0.34
KDM4E B2RXH2 2/20 0.34
P4HB P07237 1/20 0.34
DNMT1 P26358 1/20 0.34
PTPN7 P35236 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL2536528 0.90 ALDH1A1 (0.39) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL2531589 0.89 CSNK2A1 (0.37) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL2536809 0.86 GFER (0.48) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL2529625 0.86 HDAC3 (0.43) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL15509522 0.85 SMN1; SMN2 (0.36) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL2529576 0.85 MAPT (0.46) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL27905152 0.83 MEN1 (0.41) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL2530126 0.83 ALDH1A1 (0.40) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL2532073 0.82 MAPT (0.37) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL2574768 0.81 MAPT (0.40) KMT2AMEN1ALDH1A1MAPTL3MBTL1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102858746-B Novel 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN LA ROCHE 2014-07-16 CN claimed
EP-2558449-B1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-05 EP claimed
US-8586747-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US claimed
EP-2558449-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2013-02-20 EP claimed
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES Hoffmann-La Roche Inc (US) 2013-01-24 US claimed
CN-102858746-A Novel 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN LA ROCHE 2013-01-02 CN claimed
US-8344137-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMAN-LA ROCHE INC. (US) 2013-01-01 US claimed
WO-2011128251-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO claimed
US-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2011-10-20 US claimed
CN-102858746-B Novel 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN LA ROCHE 2014-07-16 CN disclosed
EP-2558449-B1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-05 EP disclosed
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
US-8586747-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
US-8344137-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMAN-LA ROCHE INC. (US) 2013-01-01 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
US-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2011-10-20 US 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 KMT2A 661/4885MEN1 353/4885POLB 4481/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 KMT2A 661/4885MEN1 353/4885POLB 4481/4885

“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.