SCHEMBL12049037

SCHEMBL12049037

Cc1cccc(CN2CCC(F)C2)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.49
PDE2A O00408 1/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.47
DRD4 P21917 3/20 0.47
SIGMAR1 Q99720 3/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL16116793 1.00 SMN1; SMN2 (0.51) SMN1; SMN2MAPTPDE2AKMT2AMEN1
SCHEMBL15214349 0.85 MAPT (0.49) SMN1; SMN2MAPTPDE2AKMT2AMEN1
SCHEMBL20356626 0.85 CXCR4 (0.45) SMN1; SMN2MAPTPDE2AKMT2AMEN1
SCHEMBL12028958 0.84 DRD2 (0.43) SMN1; SMN2MAPTPDE2AKMT2AMEN1
SCHEMBL15999335 0.84 DRD2 (0.43) SMN1; SMN2MAPTPDE2AKMT2AMEN1
SCHEMBL17967834 0.83 KMT2A (0.50) SMN1; SMN2MAPTPDE2AKMT2AMEN1
SCHEMBL12766995 0.82 MAPT (0.47) SMN1; SMN2MAPTPDE2AKMT2AMEN1
Hydrochloric Acid SCHEMBL7838680 0.82 KMT2A (0.49) SMN1; SMN2MAPTPDE2AKMT2AMEN1
SCHEMBL465740 0.82 BACE1 (0.43) CHRM2CHRM1CHRM3
SCHEMBL15906686 0.82 CXCR4 (0.41) SMN1; SMN2MAPTPDE2AKMT2AMEN1

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 SMN1; SMN2 3331/4885MAPT 1270/4885PDE2A 1096/4885

“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.