SCHEMBL2137261

SCHEMBL2137261

CCOC(=O)c1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
ALDH1A1 P00352 9/20 0.60
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
LMNA P02545 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
KDM4E B2RXH2 2/20 0.60
THRB P10828 1/20 0.60
PTBP1 P26599 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.55
GAA P10253 3/20 0.55
HPGD P15428 3/20 0.53
PABPC1 P11940 1/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49

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
SCHEMBL2137265 1.00 MAPT (0.60) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL2530957 0.86 CA1 (0.63) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL2530958 0.86 CA1 (0.63) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL12416880 0.81 MAPT (0.75) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL27905255 0.81 CA2 (0.60) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL2544690 0.80 GAA (0.55) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL9353971 0.80 MAPT (0.65) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL9353965 0.80 MAPT (0.65) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL2544692 0.80 GAA (0.55) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL2532836 0.79 CA1 (0.71) MAPTALDH1A1KMT2AMEN1LMNA

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 8 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
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 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 (3 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-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 MAPT 3638/4885ALDH1A1 3768/4885KMT2A 2278/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 MAPT 3638/4885ALDH1A1 3768/4885KMT2A 2278/4885
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES PRKAG1, PRKAB1, PRKAG2 MAPT 3772/4885ALDH1A1 624/4885KMT2A 1455/4885

“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.