SCHEMBL2308403

SCHEMBL2308403

CC1(C)OB(O)c2cc(NC(=O)c3cccc4ccccc34)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
DEGS1 O15121 1/20 0.50
HDAC1 Q13547 1/20 0.48
TMPRSS2 O15393 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
JAK3 P52333 1/20 0.45
BTK Q06187 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
PLK1 P53350 1/20 0.43
MAPT P10636 2/20 0.42
CNR1 P21554 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 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
SCHEMBL2312263 0.85 SMN1; SMN2 (0.54) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2307990 0.84 MEN1 (0.52) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2311455 0.84 MEN1 (0.48) NPC1RAB9AKMT2AMEN1JAK3
SCHEMBL2311049 0.84 PKM (0.49) NPC1RAB9AKMT2AMAPTTP53
SCHEMBL2313062 0.84 NPC1 (0.50) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL2315131 0.83 NPC1 (0.56) NPC1RAB9AKMT2AMEN1JAK3
SCHEMBL2310529 0.82 KCNK3 (0.56) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL2309398 0.82 NPC1 (0.52) NPC1RAB9AKMT2AMEN1JAK3
SCHEMBL2313973 0.81 PTGS1 (0.56) JAK3BTKRXFP1LMNA
SCHEMBL2311822 0.81 FKBP5 (0.48) NPC1RAB9AKMT2AMEN1MAPT

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 5 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-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2016-11-24 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 (4 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 NPC1 216/4885RAB9A 627/4885KMT2A 2811/4885
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP NPC1 216/4885RAB9A 627/4885KMT2A 2811/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP NPC1 216/4885RAB9A 627/4885KMT2A 2811/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP NPC1 216/4885RAB9A 627/4885KMT2A 2811/4885

“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.