SCHEMBL2909239

SCHEMBL2909239

Cc1ccc(CNc2ccc3c(Nc4ccc(S(C)(=O)=O)cc4)cccc3n2)o1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GHSR Q92847 1/20 0.38
KDM1A O60341 4/20 0.37
JAK2 O60674 3/20 0.36
JAK3 P52333 3/20 0.36
PTK2 Q05397 3/20 0.36
TGFBR1 P36897 4/20 0.36
MAP4K4 O95819 3/20 0.36
TSHR P16473 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
PTGS2 P35354 1/20 0.34
MAPK14 Q16539 1/20 0.34
GSK3B P49841 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL2907376 0.90 EPHB4 (0.43) NPC1RAB9AJAK2JAK3PTK2
SCHEMBL2908410 0.88 NPC1 (0.46) NPC1RAB9ATSHRLMNAHTT
SCHEMBL2901522 0.86 RAB9A (0.41) NPC1RAB9ATSHRMAPK14LMNA
SCHEMBL2902008 0.86 LMNA (0.45) NPC1RAB9ATSHRAURKAAURKB
SCHEMBL2908916 0.85 TGFBR1 (0.42) NPC1RAB9ATGFBR1TSHRMAPK14
SCHEMBL2906805 0.82 NPC1 (0.46) NPC1RAB9ATSHRLMNAHTT
SCHEMBL2902265 0.81 NPC1 (0.40) NPC1RAB9ATSHRMAPK14LMNA
SCHEMBL2907371 0.81 MAPT (0.45) NPC1RAB9ATSHRLMNAHTT
SCHEMBL2902288 0.80 HTT (0.40) NPC1RAB9ATSHRMAPK14LMNA
SCHEMBL2907292 0.80 NPC1 (0.42) NPC1RAB9ATSHRLMNAHTT

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 NPC1 1573/4885RAB9A 1336/4885GHSR 1432/4885

“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.