SCHEMBL2544692

SCHEMBL2544692

CCOC(=O)c1ccc(N=Cc2ccccc2Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 4/20 0.48
F2 P00734 1/20 0.48
HIF1A Q16665 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALOX15 P16050 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
CA12 O43570 1/20 0.45
ESR1 P03372 1/20 0.45

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
SCHEMBL2544690 1.00 GAA (0.55) GAAALDH1A1HPGDKDM4ETSHR
SCHEMBL4131132 0.85 CA1 (0.65) ALDH1A1HPGDTSHRSMN1; SMN2MAPT
SCHEMBL12416872 0.83 GAA (0.54) GAAALDH1A1HPGDKDM4ETSHR
SCHEMBL15600603 0.81 MAPT (0.56) GAAALDH1A1HPGDKDM4ETSHR
SCHEMBL12767354 0.81 ALDH1A1 (0.49) GAAALDH1A1HPGDKDM4ETSHR
SCHEMBL2532836 0.81 CA1 (0.71) GAAALDH1A1HPGDKDM4ETSHR
SCHEMBL2532833 0.81 CA1 (0.71) GAAALDH1A1HPGDKDM4ETSHR
SCHEMBL2137261 0.80 MAPT (0.60) GAAALDH1A1HPGDKDM4ETSHR
SCHEMBL2137265 0.80 MAPT (0.60) GAAALDH1A1HPGDKDM4ETSHR
SCHEMBL15055227 0.80 GAA (0.47) GAAALDH1A1HPGDKDM4ETSHR

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 GAA 3991/4885ALDH1A1 552/4885HPGD 1640/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 GAA 3991/4885ALDH1A1 552/4885HPGD 1640/4885

“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.