SCHEMBL2136991

SCHEMBL2136991

CCS(=O)(=O)Nc1cccc(C2CC(C)(C)c3cc(C)ccc3N2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
THRB P10828 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
HSP90AA1 P07900 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
F11 P03951 1/20 0.36
F7 P08709 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 2/20 0.36
MEN1 O00255 1/20 0.36
HTR1A P08908 1/20 0.35
KDM1A O60341 1/20 0.35
GRIA2 P42262 1/20 0.35
BRD4 O60885 1/20 0.34
PARP1 P09874 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 1/20 0.33

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
SCHEMBL2135572 0.90 F11 (0.43) ALDH1A1THRBLMNAHSP90AA1F11
SCHEMBL2134822 0.89 F11 (0.36) ALDH1A1F11F7ADRA2AADRA1A
SCHEMBL2137453 0.87 SMN1; SMN2 (0.45) ALDH1A1THRBLMNAKMT2APKM
SCHEMBL2138495 0.86 KIF11 (0.40) ALDH1A1THRBF11F7ADRA2A
SCHEMBL2141230 0.86 F11 (0.39) ALDH1A1F11F7ADRA2AADRA1A
SCHEMBL2133243 0.86 GAA (0.42) ALDH1A1HPGDLMNAF11F7
SCHEMBL2136004 0.83 PKM (0.44) ALDH1A1LMNAKMT2APKMSMN1; SMN2
SCHEMBL2137242 0.83 MAPT (0.47) LMNAKMT2APKMBRD4SMN1; SMN2
SCHEMBL2134891 0.82 BRD4 (0.44) ALDH1A1F11F7KMT2APKM
SCHEMBL2136201 0.81 KMT2A (0.43) ALDH1A1LMNAKMT2APKMMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630124-B1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-11-19 EP claimed
EP-2630124-B1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 US disclosed
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 US disclosed
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 US disclosed
WO-2012052372-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-04-26 WO 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 (1 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-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES PRKAG1, PRKAB1, PRKAG2 ALDH1A1 624/4885THRB 312/4885HPGD 1996/4885

“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.