SCHEMBL2529428

SCHEMBL2529428

COC(=O)c1cc(Cl)cc2c1NC(c1cccc(N3CCN(C(C)=O)CC3)c1)C(C)(C)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 3/20 0.38
NPC1 O15118 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
ALK Q9UM73 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2530166 0.93 SIRT6 (0.40) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2535155 0.92 CYP1A2 (0.40) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2532199 0.90 ALDH1A1 (0.42) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL2535676 0.90 KDM1A (0.40) KDM4EKMT2AMEN1ALDH1A1TSHR
SCHEMBL2534268 0.88 ALDH1A1 (0.39) KDM4EKMT2AMEN1ALDH1A1TSHR
SCHEMBL15509524 0.84 ALDH1A1 (0.38) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL2531694 0.84 SLC6A3 (0.36) KMT2AMEN1ALDH1A1HSD17B10MAPT
SCHEMBL2531526 0.83 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1TSHRCA12
SCHEMBL2566040 0.82 JAK2 (0.41) CA12CA1CA9HTR1AHTR2A
SCHEMBL2531361 0.82 ALDH1A1 (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR

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 KDM4E 796/4885KMT2A 661/4885MEN1 353/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 KDM4E 796/4885KMT2A 661/4885MEN1 353/4885

“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.