SCHEMBL15445451

SCHEMBL15445451

O=C(CO)c1ccc2cccnc2c1-c1cc(F)cc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
EGLN1 Q9GZT9 12/20 0.40
TP53 P04637 3/20 0.39
RAB9A P51151 2/20 0.39
RECQL P46063 1/20 0.39
PARP1 P09874 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MMP2 P08253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 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
SCHEMBL2016020 0.84 ALDH1A1 (0.44) ALDH1A1EGLN1TP53RAB9APARP1
SCHEMBL2718771 0.81 KDM4E (0.50) ALDH1A1EGLN1RAB9ANPC1KDM4E
SCHEMBL2718191 0.79 KDM4E (0.42) ALDH1A1EGLN1TP53RAB9ARECQL
SCHEMBL2017011 0.77 TRPM8 (0.41) ALDH1A1EGLN1PARP1L3MBTL1KDM4E
SCHEMBL2011511 0.76 KDM4E (0.40) EGLN1TP53RAB9AMEN1NPC1
SCHEMBL15445450 0.75 ALDH1A1 (0.69) ALDH1A1EGLN1
SCHEMBL15445449 0.74 ALDH1A1 (0.50) ALDH1A1EGLN1TP53RAB9APARP1
SCHEMBL2721112 0.73 ERN1 (0.43) ALDH1A1EGLN1TP53RAB9AMEN1
SCHEMBL2016022 0.73 CCR1 (0.39) EGLN1TP53RAB9AMEN1NPC1
SCHEMBL2011836 0.71 LMNA (0.40) ALDH1A1TP53RAB9AMEN1NPC1

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-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2014-01-30 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-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, MALT1 ALDH1A1 3702/4885EGLN1 2256/4885TP53 311/4885

“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.