SCHEMBL2313312

SCHEMBL2313312

CC1(C)OB(O)c2cc(NC(=O)c3cccs3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.53
MAPT P10636 4/20 0.53
RAB9A P51151 10/20 0.52
NPC1 O15118 9/20 0.52
KMT2A Q03164 9/20 0.52
MEN1 O00255 8/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 4/20 0.50
GFER P55789 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ALDH1A1 P00352 3/20 0.49
TP53 P04637 3/20 0.49
HPGD P15428 2/20 0.49
PKM P14618 1/20 0.49
GAA P10253 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48

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
SCHEMBL2308860 0.83 HDAC1 (0.50) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL2311190 0.82 MEN1 (0.54) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL2311822 0.81 FKBP5 (0.48) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL2313316 0.80 JAK3 (0.47) SMN1; SMN2RAB9ANPC1KMT2AHPGD
SCHEMBL2309351 0.79 GAA (0.50) SMN1; SMN2RAB9AKMT2ATDP1LMNA
SCHEMBL2312972 0.79 JAK3 (0.46) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL2312263 0.78 SMN1; SMN2 (0.54) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL2308410 0.78 RAB9A (0.48) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL2313226 0.78 PTPRC (0.44) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL2313546 0.77 HTT (0.46) SMN1; SMN2MAPTKMT2AMEN1LMNA

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 4 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-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 SMN1; SMN2 3037/4885MAPT 3310/4885RAB9A 627/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP SMN1; SMN2 3037/4885MAPT 3310/4885RAB9A 627/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP SMN1; SMN2 3037/4885MAPT 3310/4885RAB9A 627/4885

“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.