SCHEMBL14701733

SCHEMBL14701733

CC(=O)c1nnn(-c2ccc(F)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.49
NPC1 O15118 11/20 0.47
RAB9A P51151 11/20 0.42
KMT2A Q03164 5/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 5/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 4/20 0.39
RECQL P46063 1/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
CPT1A P50416 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
SCHEMBL2331296 0.85 NPC1 (0.53) PTGS2NPC1RAB9AKMT2APKM
SCHEMBL27894376 0.83 NPC1 (0.51) PTGS2NPC1RAB9AKMT2APKM
SCHEMBL12442229 0.79 NPC1 (0.52) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL1996494 0.73 GRM5 (0.43) KMT2AMAPTMEN1ALDH1A1L3MBTL1
SCHEMBL18755000 0.73 NPC1 (0.54) PTGS2NPC1RAB9AKMT2APKM
SCHEMBL23367526 0.70 ADAMTS7 (0.44) PTGS2NPC1RAB9AKMT2AMAPT
SCHEMBL14701732 0.69 NPC1 (0.50) PTGS2NPC1RAB9AKMT2APKM
SCHEMBL17273822 0.68 NPC1 (0.59) NPC1RAB9AKMT2APKMMAPT
SCHEMBL24775079 0.68 TSHR (0.49) PTGS2NPC1RAB9AKMT2APKM
SCHEMBL2047498 0.68 ABCG2 (0.50) ALDH1A1ABCG2CPT1A

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-9284350-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-03-15 US disclosed
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-02-14 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-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 PTGS2 3799/4885NPC1 818/4885RAB9A 1937/4885

“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.