SCHEMBL2529349

SCHEMBL2529349

COC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(S(=O)(=O)Nc3ccccc3)c1)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
POLB P06746 3/20 0.44
HTT P42858 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TCF4 P15884 2/20 0.41
CTNNB1 P35222 2/20 0.41
PLAU P00749 2/20 0.41
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PLA2G1B P04054 1/20 0.40
P4HB P07237 1/20 0.40
DNMT1 P26358 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 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
SCHEMBL2533078 0.92 PFKFB3 (0.44) MAPTPOLBALDH1A1L3MBTL1KDM4E
SCHEMBL2535127 0.89 ALDH1A1 (0.41) MAPTPOLBHTTALOX15HSD17B10
SCHEMBL2533749 0.86 KMT2A (0.36) MAPTPOLBHTTALOX15HSD17B10
SCHEMBL15509574 0.86 BRD4 (0.40) MAPTPOLBHTTALDH1A1L3MBTL1
SCHEMBL2534242 0.86 MCL1 (0.38) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2530174 0.84 ALDH1A1 (0.39) POLBALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL2533556 0.83 ALDH1A1 (0.41) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL2529625 0.82 HDAC3 (0.43) MAPTPOLBALDH1A1L3MBTL1KDM4E
SCHEMBL2532147 0.82 KMT2A (0.48) MAPTPOLBHTTALDH1A1L3MBTL1
SCHEMBL2531679 0.82 ALDH1A1 (0.39) MAPTPOLBHTTHSD17B10ALDH1A1

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 MAPT 3094/4885POLB 4481/4885HTT 3543/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 MAPT 3094/4885POLB 4481/4885HTT 3543/4885

“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.