SCHEMBL2908910

SCHEMBL2908910

Cc1ccc(CNc2ccc3c(CCc4ccc(F)cc4)cccc3n2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK14 Q16539 1/20 0.38
TRPC5 Q9UL62 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
CYP2C9 P11712 1/20 0.36
ELANE P08246 1/20 0.35
NPY5R Q15761 1/20 0.35
NTRK1 P04629 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35

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
SCHEMBL2907734 0.91 NPC1 (0.46) NPC1RAB9AMEN1KMT2ATRPC5
SCHEMBL2906926 0.88 MEN1 (0.40) NPC1RAB9AMEN1KMT2AMAPK14
SCHEMBL2901754 0.85 MEN1 (0.43) NPC1RAB9AMEN1KMT2AMAPK14
SCHEMBL2909122 0.85 TP53 (0.43) NPC1RAB9AMEN1KMT2AMAPK14
SCHEMBL2909105 0.83 LMNA (0.42) NPC1RAB9AMEN1KMT2AMAPK14
SCHEMBL2904771 0.82 NPC1 (0.38) NPC1RAB9ATRPC5TSHRTP53
SCHEMBL2902650 0.81 TP53 (0.47) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL2901522 0.81 RAB9A (0.41) NPC1RAB9AMEN1KMT2AMAPK14
SCHEMBL2907999 0.81 NPC1 (0.46) NPC1RAB9AMEN1KMT2ATRPC5
SCHEMBL2909843 0.81 NPC1 (0.46) NPC1RAB9AMEN1KMT2ATRPC5

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
CN-101516852-B Quinoline derivatives with 5-ht-binding properties HOFFMANN LA ROCHE 2011-11-16 CN disclosed
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
CN-101516852-A Quinoline derivatives with 5-HT-binding properties HOFFMANN LA ROCHE (CH) 2009-08-26 CN 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 1336/4885MEN1 645/4885

“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.