SCHEMBL12880950

SCHEMBL12880950

CC(C)(C)OC(=O)N1CCC(NC(=O)c2cccc3ccc(-c4cccc(C(F)(F)F)c4)nc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.50
HDAC4 P56524 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
DRD4 P21917 1/20 0.45
SYK P43405 1/20 0.45
POLB P06746 1/20 0.44
USP30 Q70CQ3 3/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
SCN9A Q15858 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL13626995 0.87 DRD4 (0.47) SMN1; SMN2ALDH1A1HPGDDRD4SYK
SCHEMBL17772313 0.85 DRD4 (0.46) SMN1; SMN2ALDH1A1HPGDDRD4SYK
SCHEMBL1035236 0.84 MAPT (0.50) SMN1; SMN2ALDH1A1DRD4POLBMAPT
SCHEMBL12880985 0.83 PARP1 (0.48) PARP1SMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL1032826 0.81 POLB (0.45) PARP1HDAC4DRD4POLBMAPT
SCHEMBL23360639 0.78 PARP1 (0.59) PARP1HDAC4ALDH1A1POLBUSP30
SCHEMBL29933507 0.78 PARP1 (0.59) PARP1HDAC4ALDH1A1POLBUSP30
SCHEMBL1033396 0.78 HDAC4 (0.46) PARP1HDAC4DRD4POLBSCN9A
SCHEMBL1033395 0.78 HDAC4 (0.46) PARP1HDAC4DRD4POLBSCN9A
SCHEMBL1032402 0.77 CHRNA7 (0.52)

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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 183/4885HDAC4 160/4885SMN1; SMN2 2735/4885

“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.