SCHEMBL2307459

SCHEMBL2307459

CC1(C)OB(O)c2cc(NC(=O)C3CC3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.46
BACE1 P56817 3/20 0.44
MEN1 O00255 4/20 0.43
LMNA P02545 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 2/20 0.42
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL2311462 0.95 KDM4E (0.48) BACE1MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL2309415 0.95 NPSR1 (0.48) MEN1LMNAKMT2ASMN1; SMN2HPGD
SCHEMBL2313754 0.94 NPC1 (0.49) LMNASMN1; SMN2HPGDNPC1GAA
SCHEMBL2312972 0.82 JAK3 (0.46) MEN1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL18062223 0.78 JAK3 (0.39) JAK3BTK
SCHEMBL2311822 0.77 FKBP5 (0.48) MEN1KMT2ASMN1; SMN2HTTNPC1
SCHEMBL2313316 0.77 JAK3 (0.47) KMT2ASMN1; SMN2HPGDNPC1RAB9A
SCHEMBL22757547 0.76 JAK3 (0.39) JAK3BTK
SCHEMBL2313546 0.76 HTT (0.46) MEN1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL2310567 0.76 NPC1 (0.51) MEN1KMT2ASMN1; SMN2HTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. 2019-08-22 US disclosed
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2019-05-28 US disclosed
US-9440994-B2 Boron containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-09-13 US disclosed
US-20110190235-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190235-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
WO-2011019618-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-02-17 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 (3 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-20110190235-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP NAMPT 516/4885BACE1 4552/4885MEN1 202/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP NAMPT 516/4885BACE1 4552/4885MEN1 202/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP NAMPT 516/4885BACE1 4552/4885MEN1 202/4885

“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.