SCHEMBL253949

SCHEMBL253949

CC(c1cc2ccc(F)cc2nc1Cc1ccccc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
GAA P10253 3/20 0.36
ALDH1A1 P00352 2/20 0.36
ALPL P05186 2/20 0.35
CASR P41180 2/20 0.35
PLA2G2A P14555 1/20 0.35
LMNA P02545 1/20 0.34
NR3C2 P08235 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOB P27338 1/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL253948 1.00 TDP1 (0.40) TDP1GAAALDH1A1ALPLCASR
SCHEMBL252984 0.92 TDP1 (0.37) TDP1GAAALDH1A1ALPLCASR
SCHEMBL251262 0.87 TDP1 (0.36) TDP1GAAALDH1A1LMNANR3C2
SCHEMBL251261 0.87 TDP1 (0.36) TDP1GAAALDH1A1LMNANR3C2
SCHEMBL252646 0.87 TDP1 (0.34) TDP1ALDH1A1CASRLMNAHPGD
SCHEMBL252645 0.87 TDP1 (0.34) TDP1ALDH1A1CASRLMNAHPGD
SCHEMBL14859955 0.84 TDP1 (0.34) TDP1GAAALDH1A1LMNACASP3
SCHEMBL14860189 0.84 TDP1 (0.34) TDP1GAAALDH1A1LMNACASP3
SCHEMBL251291 0.84 ALDH1A1 (0.32) TDP1ALDH1A1LMNACASP3
SCHEMBL3414301 0.84 TDP1 (0.34) TDP1GAAALDH1A1LMNACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588469-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130096134-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-18 US disclosed
WO-2012003271-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 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-20130096134-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, MALT1 TDP1 2619/4885GAA 3005/4885ALDH1A1 3452/4885

“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.