SCHEMBL12028958

SCHEMBL12028958

CC(C)c1cccc(CN2CCC(F)C2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
HRH1 P35367 2/20 0.43
KMT2A Q03164 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CXCR4 P61073 1/20 0.39
MAPT P10636 1/20 0.37
PDE2A O00408 1/20 0.37
MEN1 O00255 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.36
DRD4 P21917 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
LTA4H P09960 1/20 0.35
SCN1A P35498 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
PKM P14618 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
SCHEMBL15999335 1.00 DRD2 (0.43) DRD2HTR2AHRH1KMT2ASMN1; SMN2
SCHEMBL20355529 0.86 DRD2 (0.43) DRD2HTR2AHRH1KMT2ASMN1; SMN2
SCHEMBL12049037 0.84 SMN1; SMN2 (0.51) KMT2ASMN1; SMN2MAPTPDE2AMEN1
SCHEMBL16116793 0.84 SMN1; SMN2 (0.51) KMT2ASMN1; SMN2MAPTPDE2AMEN1
SCHEMBL20356626 0.81 CXCR4 (0.45) DRD2HTR2AHRH1KMT2ASMN1; SMN2
SCHEMBL4547914 0.79 CXCR4 (0.49) KMT2ACXCR4SIGMAR1KDM4EALDH1A1
SCHEMBL465740 0.78 BACE1 (0.43) CXCR4LTA4HHRH3ADORA2AADORA1
SCHEMBL15906686 0.78 CXCR4 (0.41) DRD2HTR2AHRH1KMT2ASMN1; SMN2
SCHEMBL465996 0.78 BACE1 (0.43) CXCR4LTA4HHRH3ADORA2AADORA1
SCHEMBL465741 0.78 BACE1 (0.43) CXCR4LTA4HHRH3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9326986-B2 Quinazolinone, quinolone and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2016-05-03 US disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 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-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 DRD2 4087/4885HTR2A 2346/4885HRH1 3045/4885

“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.