SCHEMBL2135865

SCHEMBL2135865

CC1(C)CC(c2cccc([N+](=O)[O-])c2)Nc2ccc(Cl)cc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.48
ALDH1A1 P00352 7/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 5/20 0.41
PGR P06401 1/20 0.40
CYBB P04839 1/20 0.40
OPRK1 P41145 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2136442 0.87 ALDH1A1 (0.47) ALDH1A1TDP1L3MBTL1KMT2AMAPT
SCHEMBL2135732 0.84 ALDH1A1 (0.41) ALDH1A1TDP1L3MBTL1KMT2AMAPT
SCHEMBL2133013 0.84 ALDH1A1 (0.42) ALDH1A1TDP1L3MBTL1KMT2AMAPT
SCHEMBL2136174 0.81 F7 (0.38) ALDH1A1L3MBTL1KMT2AMAPTGAA
SCHEMBL2138859 0.81 EPAS1 (0.42) L3MBTL1KMT2AMAPTGAAMEN1
SCHEMBL2134431 0.80 PGR (0.33) L3MBTL1KMT2AMAPTGAAMEN1
SCHEMBL2729952 0.79 F7 (0.45) KMT2AMEN1OPRK1
SCHEMBL2135784 0.78 F11 (0.42) ALDH1A1KDM4ELMNAPGR
SCHEMBL2135312 0.77 TNNI3K (0.39) ALDH1A1MAPTLMNAPOLB
SCHEMBL2134822 0.75 F11 (0.36) ALDH1A1KMT2AMEN1

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 5 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 disclosed
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 US disclosed
EP-2630124-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-08-28 EP 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 HPN 4474/4885ALDH1A1 624/4885TDP1 1697/4885

“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.