SCHEMBL2909122

SCHEMBL2909122

Cc1ccc(CNc2ccc3c(SCc4ccc(F)cc4)cccc3n2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.43
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK14 Q16539 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TRPC5 Q9UL62 1/20 0.36
MAOB P27338 1/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 3/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPY5R Q15761 1/20 0.34

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
SCHEMBL2904492 0.92 NPC1 (0.44) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL2906786 0.86 MAPK14 (0.42) TP53NPC1RAB9AMAPK14MEN1
SCHEMBL2908910 0.85 NPC1 (0.41) TP53NPC1RAB9AMAPK14MEN1
SCHEMBL2906926 0.84 MEN1 (0.40) TP53NPC1RAB9AMAPK14MEN1
SCHEMBL2901754 0.82 MEN1 (0.43) TP53NPC1RAB9AMAPK14MEN1
SCHEMBL2909105 0.81 LMNA (0.42) TP53NPC1RAB9AMAPK14MEN1
SCHEMBL2901522 0.78 RAB9A (0.41) NPC1RAB9AMAPK14MEN1KMT2A
SCHEMBL2902474 0.77 NPC1 (0.47) TP53NPC1RAB9AMAPK14MEN1
SCHEMBL2905168 0.77 NPC1 (0.39) NPC1RAB9AMAPK14MEN1KMT2A
SCHEMBL2905170 0.77 NPC1 (0.39) NPC1RAB9AMAPK14MEN1KMT2A

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 7 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 claimed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 US claimed
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 TP53 2398/4885NPC1 1573/4885RAB9A 1336/4885

“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.