SCHEMBL5024595

SCHEMBL5024595

COc1ccc(CNc2ccc3c(N4CCCC4)cc(C)nc3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GPR35 Q9HC97 2/20 0.49
APAF1 O14727 1/20 0.49
POLB P06746 1/20 0.49
CASP3 P42574 1/20 0.49
BLM P54132 1/20 0.49
CASP7 P55210 1/20 0.49
CASP6 P55212 1/20 0.49
CASP8 Q14790 1/20 0.49
MAPT P10636 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL5024554 0.89 NCF1 (0.51) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5022744 0.89 MAPT (0.51) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5024388 0.87 CTNNB1 (0.49) MEN1KMT2AGPR35NCF1
SCHEMBL5026871 0.87 NPC1 (0.52) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5028716 0.86 NCF1 (0.50) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5022553 0.84 NCF1 (0.51) RAB9ANPC1KDM4EALDH1A1MEN1
SCHEMBL5026876 0.84 NCF1 (0.46) MEN1KMT2ANCF1
SCHEMBL5024451 0.84 NCF1 (0.46) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5028710 0.83 NCF1 (0.48) ALDH1A1MEN1KMT2ANCF1
SCHEMBL5036263 0.81 NCF1 (0.61) KDM4EALDH1A1MEN1KMT2AMAPT

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
EP-1474145-B1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-04-23 EP disclosed
EP-1474145-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-6696467-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-24 US disclosed
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 US disclosed
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 WO 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-20030153553-A1 Quinoline derivatives NPY1R, NPY4R, GLP1R RAB9A 1050/4885NPC1 172/4885KDM4E 2067/4885

“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.