SCHEMBL2908289

SCHEMBL2908289

COc1cccc(COc2cccc3nc(NCc4ccc(C)o4)ccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.47
HTT P42858 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 3/20 0.45
HTR1A P08908 4/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
LMNA P02545 3/20 0.40
ABCB1 P08183 2/20 0.40
DRD2 P14416 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ACHE P22303 1/20 0.40
MAOB P27338 1/20 0.40
APP P05067 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL2909105 0.84 LMNA (0.42) HTTSMN1; SMN2MAPTMAPK1LMNA
SCHEMBL2906781 0.84 ALDH1A1 (0.44) SMN1; SMN2MAPTMAPK1HTR1ALMNA
SCHEMBL2908770 0.82 LMNA (0.55) SGMS2HTTSMN1; SMN2MAPTMAPK1
SCHEMBL2908642 0.78 NPC1 (0.45) HTTSMN1; SMN2MAPTMAPK1LMNA
SCHEMBL2902828 0.77 ACP1 (0.41) HTTSMN1; SMN2MAPTMAPK1LMNA
SCHEMBL2904771 0.77 NPC1 (0.38) HTTSMN1; SMN2MAPK1LMNAABCB1
SCHEMBL2906684 0.77 SMN1; SMN2 (0.39) HTTSMN1; SMN2MAPK1LMNAALDH1A1
SCHEMBL3267003 0.77 MAPT (0.47) SMN1; SMN2MAPTMAPK1LMNAMEN1
SCHEMBL2907472 0.74 NPC1 (0.36) HTTSMN1; SMN2MAPK1LMNAALDH1A1
SCHEMBL2907471 0.74 NPC1 (0.36) HTTSMN1; SMN2MAPK1LMNAALDH1A1

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 SGMS2 3550/4885HTT 586/4885SMN1; SMN2 753/4885

“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.