SCHEMBL4105441

SCHEMBL4105441

C=CCNc1cccc2nc(NCc3ccc(C)o3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
TSHR P16473 1/20 0.39
HTT P42858 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 3/20 0.37
NPY5R Q15761 1/20 0.36
SUMO3 P55854 1/20 0.35
SUMO2 P61956 1/20 0.35
SUMO1 P63165 1/20 0.35
TRPC5 Q9UL62 1/20 0.35
KDM4E B2RXH2 8/20 0.34
ALDH1A1 P00352 6/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 3/20 0.34
MAPK1 P28482 2/20 0.34
GFER P55789 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HPGD P15428 3/20 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
SCHEMBL2906805 0.85 NPC1 (0.46) RAB9ANPC1TSHRHTTSMN1; SMN2
SCHEMBL2251643 0.83 NPC1 (0.44) RAB9ANPC1TSHRHTTSMN1; SMN2
SCHEMBL2904364 0.82 NPC1 (0.42) RAB9ANPC1TSHRHTTSMN1; SMN2
SCHEMBL2908410 0.82 NPC1 (0.46) RAB9ANPC1TSHRHTTSMN1; SMN2
SCHEMBL13685704 0.81 NCF1 (0.48) RAB9ANPC1TSHRHTTSMN1; SMN2
SCHEMBL2906853 0.81 KDM4E (0.54) RAB9ANPC1TSHRHTTSMN1; SMN2
SCHEMBL2902503 0.81 NPC1 (0.41) RAB9ANPC1TSHRHTTSMN1; SMN2
SCHEMBL2908205 0.81 NPC1 (0.41) RAB9ANPC1TSHRHTTSMN1; SMN2
SCHEMBL2901754 0.81 MEN1 (0.43) RAB9ANPC1TSHRSMN1; SMN2LMNA
SCHEMBL2907784 0.80 NTRK1 (0.41) RAB9ANPC1TSHRHTTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227628-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 US claimed
EP-2262774-B1 2-aminoquinolines as 5-HT5A receptor antagonists, their manufacture and pharmaceutical compositions thereof HOFFMANN LA ROCHE (CH) 2012-11-14 EP disclosed
US-20090227628-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 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-20090227628-A1 2-AMINOQUINOLINES HTR5A, HTR1A, HTR1E RAB9A 152/4885NPC1 1213/4885TSHR 799/4885

“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.