SCHEMBL1035375

SCHEMBL1035375

O=C(NC1CCCC1)c1cccc2ccc(-c3cccc(OC4CCNC4)c3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
MAP4K4 O95819 2/20 0.41
PRKCZ Q05513 1/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PBK Q96KB5 1/20 0.40
PARP1 P09874 1/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 2/20 0.39
MLLT3 P42568 1/20 0.39
MLLT1 Q03111 1/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL1035374 1.00 CNR2 (0.41) CNR2MAP4K4PRKCZGAASMN1; SMN2
SCHEMBL1033993 0.95 CNR2 (0.42) CNR2MAP4K4GAASMN1; SMN2KMT2A
SCHEMBL1034151 0.86 PRKCZ (0.45) PRKCZPARP1
SCHEMBL1034153 0.86 PRKCZ (0.45) PRKCZPARP1
SCHEMBL1032612 0.82 ROCK1 (0.42) PRKCZ
SCHEMBL1032614 0.82 ROCK1 (0.42) PRKCZ
SCHEMBL12880985 0.79 PARP1 (0.48) SMN1; SMN2KMT2AALDH1A1MEN1LMNA
SCHEMBL1033051 0.79 RXFP1 (0.43) MAPT
SCHEMBL1035721 0.77 DYRK1A (0.50) SMN1; SMN2KMT2AALDH1A1MEN1LMNA
SCHEMBL1034760 0.77 SIRT2 (0.47) GAASMN1; SMN2KMT2AALDH1A1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 CNR2 1901/4885MAP4K4 1524/4885PRKCZ 3249/4885

“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.