SCHEMBL2904492

SCHEMBL2904492

Cc1ccc(CNc2ccc3c(SCc4ccccc4)cccc3n2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 1/20 0.40
TRPC5 Q9UL62 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
ELANE P08246 6/20 0.39
NPY5R Q15761 1/20 0.38
HTT P42858 3/20 0.37
LMNA P02545 2/20 0.36
PTPN22 Q9Y2R2 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
CLK1 P49759 1/20 0.33

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
SCHEMBL2909122 0.92 TP53 (0.43) NPC1RAB9ATSHRTRPC5SMN1; SMN2
SCHEMBL2907734 0.83 NPC1 (0.46) NPC1RAB9ATSHRTRPC5SMN1; SMN2
SCHEMBL2908631 0.80 NPC1 (0.47) NPC1RAB9ATSHRTRPC5SMN1; SMN2
SCHEMBL2907999 0.79 NPC1 (0.46) NPC1RAB9ATSHRTRPC5SMN1; SMN2
SCHEMBL2909843 0.79 NPC1 (0.46) NPC1RAB9ATSHRTRPC5SMN1; SMN2
SCHEMBL2249125 0.79 NPC1 (0.46) NPC1RAB9ATSHRTRPC5SMN1; SMN2
SCHEMBL2906786 0.79 MAPK14 (0.42) NPC1RAB9ATSHRTRPC5SMN1; SMN2
SCHEMBL2248304 0.78 NPC1 (0.47) NPC1RAB9ATSHRTRPC5SMN1; SMN2
SCHEMBL2250707 0.78 NPC1 (0.47) NPC1RAB9ATSHRTRPC5SMN1; SMN2
SCHEMBL2902474 0.78 NPC1 (0.47) NPC1RAB9ATSHRTRPC5SMN1; SMN2

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 10 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
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 EP claimed
EP-2076495-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP claimed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 WO 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 NPC1 1573/4885RAB9A 1336/4885TSHR 2566/4885

“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.