SCHEMBL1694667

SCHEMBL1694667

CCN(CC)C(=O)c1cc2c(F)cccc2nc1N(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
EED O75530 1/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL1694653 0.81 ALOX5AP (0.43) ALDH1A1HPGDLMNAKDM4EPOLB
SCHEMBL1695356 0.79 KDM4E (0.40) ALDH1A1KDM4ETDP1
SCHEMBL1694665 0.78 KMT2A (0.42) ALDH1A1HPGDLMNAKDM4EPOLB
SCHEMBL10147609 0.72 PARP1 (0.41) TDP1
SCHEMBL10761618 0.70 TACR3 (0.53) ALDH1A1HPGDLMNAKDM4EPOLB
SCHEMBL7219292 0.68 KEAP1 (0.48) ALDH1A1HPGDLMNAPOLBALOX5AP
SCHEMBL254969 0.67 ALDH1A1 (0.56) ALDH1A1HPGDLMNAALOX5APFEN1
SCHEMBL24950821 0.66 TSHR (0.60) ALDH1A1HPGDLMNAKDM4ENPSR1
SCHEMBL31133620 0.66 TSHR (0.60) ALDH1A1HPGDLMNAKDM4ENPSR1
SCHEMBL3309142 0.66 ALB (0.55) ALDH1A1HPGDLMNAALOX5APFEN1

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-2588467-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-04 US disclosed
WO-2012003274-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-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, BCL9 ALDH1A1 3436/4885HPGD 1267/4885LMNA 2504/4885

“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.