SCHEMBL2532212

SCHEMBL2532212

CC(C)S(=O)(=O)Nc1cccc(C2Nc3ccc(C(=O)O)cc3CC2(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.37
FLT3 P36888 1/20 0.37
AAK1 Q2M2I8 2/20 0.36
POLB P06746 6/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
MCL1 Q07820 3/20 0.35
GAA P10253 3/20 0.35
NOX1 Q9Y5S8 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
PLA2G1B P04054 1/20 0.35
P4HB P07237 1/20 0.35
DNMT1 P26358 1/20 0.35
BCL2L1 Q07817 1/20 0.35
SAE1 Q9UBE0 1/20 0.35

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
SCHEMBL2533229 0.89 F11 (0.42) POLBL3MBTL1KDM4EMAPTMCL1
SCHEMBL15509783 0.87 ACHE (0.36) KDM1AFLT3AAK1PARP1
SCHEMBL2536680 0.87 HTT (0.45) AAK1POLBL3MBTL1KDM4EMAPT
SCHEMBL2527836 0.84 F10 (0.40) GAARAB9AALDH1A1F11F7
SCHEMBL12219890 0.84 KMO (0.43) POLBL3MBTL1KDM4EMAPTGAA
SCHEMBL2533078 0.83 PFKFB3 (0.44) POLBL3MBTL1KDM4EMAPTMCL1
SCHEMBL2530887 0.83 KDM4E (0.45) POLBL3MBTL1KDM4EGAARAB9A
SCHEMBL2529519 0.82 PTPN11 (0.39) POLBL3MBTL1KDM4EMAPTMCL1
SCHEMBL2535130 0.82 KMT2A (0.46) KDM1APOLBMEN1KMT2A
SCHEMBL2530147 0.81 NR4A1 (0.33) POLBL3MBTL1KDM4EMAPTMCL1

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 23 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
EP-2558449-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2013-02-20 EP 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
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

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 KDM1A 413/4885FLT3 1297/4885AAK1 4178/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 KDM1A 413/4885FLT3 1297/4885AAK1 4178/4885

“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.