SCHEMBL12048166

SCHEMBL12048166

O=Nc1cccc2c(=O)oc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
PGR P06401 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
ELANE P08246 3/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
F2 P00734 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
CASP3 P42574 1/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL12049141 0.81 NOTUM (0.47) NOTUMF7F3CYP1A1CYP1A2
SCHEMBL465889 0.81 NOTUM (0.47) NOTUMF7F3CYP1A2RAB9A
SCHEMBL465868 0.80 MEN1 (0.50) NOTUMF7F3CYP1A1CYP1A2
SCHEMBL10344443 0.79 ELANE (0.66) NOTUMF7F3CYP1A2RAB9A
SCHEMBL7193264 0.79 NOTUM (0.47) NOTUMF7F3CYP1A1CYP1A2
SCHEMBL465897 0.77 PPARG (0.51) NOTUMCYP1A2RAB9ANPC1ALDH1A1
SCHEMBL12049285 0.76 TNKS (0.54) CYP1A2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL9980861 0.75 NOTUM (0.46) NOTUMF7F3CYP1A1CYP1A2
SCHEMBL914428 0.75 HPGD (0.53) NOTUMF7F3RAB9ANPC1
SCHEMBL14273715 0.75 KDM4E (0.58) NOTUMF7F3CYP1A2ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NOTUM 4205/4885F7 2145/4885F3 314/4885

“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.