SCHEMBL3273087

SCHEMBL3273087

CCCNC(=O)c1ccc2c(c1)C1(COC=N1)c1ccccc1O2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.45
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
NAMPT P43490 7/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KLF5 Q13887 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
SCHEMBL3273401 0.83 PDK2 (0.41) PDK2ALDH1A1KDM4EKMT2APOLB
SCHEMBL3273686 0.80 ALOX5 (0.41) PDK2ALDH1A1HPGDGAARAB9A
SCHEMBL8513311 0.74 TRPA1 (0.35) PDK2HPGDGAALMNAKMT2A
SCHEMBL15510073 0.66 BACE1 (0.46) NAMPTKMT2APOLB
SCHEMBL1520852 0.65 HPGD (0.72) ALDH1A1HPGDLMNAKMT2ANPC1
SCHEMBL29655544 0.64 PTGER4 (0.46) PDK2HPGDKDM4EL3MBTL1PTGS1
SCHEMBL13763531 0.63 L3MBTL1 (0.80) ALDH1A1HPGDKDM4EGAAL3MBTL1
SCHEMBL8826323 0.63 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EGAAL3MBTL1
SCHEMBL6360257 0.63 HDAC3 (0.72) ALDH1A1HPGDKDM4EGAAL3MBTL1
SCHEMBL13128312 0.62 PDK2 (1.00) PDK2

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-8426447-B2 Spiro-tricyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-04-23 US disclosed
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-04-08 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-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP PDK2 2740/4885ALDH1A1 392/4885HPGD 1347/4885

“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.