SCHEMBL2905129

SCHEMBL2905129

Clc1ccc2c(OCc3ccccc3)cccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 1/20 0.50
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NCF1 P14598 7/20 0.48
CYBB P04839 2/20 0.47
NOX5 Q96PH1 1/20 0.47
STAT3 P40763 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
F9 P00740 1/20 0.46
F10 P00742 1/20 0.46
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
LTA4H P09960 1/20 0.44
MAPK14 Q16539 1/20 0.44
PDE5A O76074 1/20 0.43
PLAU P00749 1/20 0.43

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
SCHEMBL1616149 0.90 MEN1 (0.50) DCPSMAPTNCF1CYBBNOX5
SCHEMBL26607243 0.83 SMN1; SMN2 (0.51) DCPSMAPTL3MBTL1NCF1STAT3
SCHEMBL13040594 0.81 NCF1 (0.50) L3MBTL1NCF1CYBBNOX5
SCHEMBL17430119 0.79 CA1 (0.38) DCPSMAPTMAPK1TDP1L3MBTL1
SCHEMBL20597249 0.79 DCPS (0.48) DCPSMAPTMAPK1TDP1L3MBTL1
SCHEMBL26731827 0.79 HTT (0.44) DCPSMAPTMAPK1TDP1L3MBTL1
SCHEMBL729315 0.78 MEN1 (0.54) MAPTMAPK1TDP1L3MBTL1NCF1
SCHEMBL2799479 0.78 LTA4H (0.58) DCPSMAPTMAPK1TDP1L3MBTL1
SCHEMBL30858374 0.78 SMN1; SMN2 (0.56) MAPTMAPK1TDP1L3MBTL1STAT3
SCHEMBL19690971 0.77 CYP3A4 (0.47) MAPTNCF1CYBBNOX5

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
US-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US disclosed
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 EP disclosed
EP-2076495-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP disclosed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 WO disclosed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 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 (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-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES AR, ADRA2C, RCC2 DCPS 4395/4885MAPT 1716/4885MAPK1 2614/4885

“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.