SCHEMBL15937375

SCHEMBL15937375

O=C(Nc1ccc2c(c1)B(O)OCC2)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.57
NPC1 O15118 6/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
ALDH1A1 P00352 3/20 0.57
TP53 P04637 2/20 0.57
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 2/20 0.55
KCNK3 O14649 1/20 0.51
LMNA P02545 1/20 0.50
HIF1A Q16665 1/20 0.50
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL2278798 0.89 CA12 (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL12317800 0.86 CA12 (0.62) RAB9ANPC1SMN1; SMN2TP53CA12
SCHEMBL12317844 0.81 CA12 (0.56) RAB9ANPC1TP53CA12CA1
SCHEMBL12317679 0.81 CA1 (0.56) RAB9ANPC1SMN1; SMN2TP53CA12
SCHEMBL12317635 0.81 NPC1 (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL15937374 0.80 NPC1 (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1CA12
SCHEMBL12317843 0.79 CA1 (0.60) RAB9ANPC1SMN1; SMN2TP53CA12
SCHEMBL12317682 0.79 CA1 (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1CA12
SCHEMBL12317775 0.79 CA1 (0.60) RAB9ANPC1SMN1; SMN2CA12CA1
SCHEMBL12318064 0.79 NPC1 (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1TP53

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-11161858-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2021-11-02 US disclosed
US-20200247828-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2020-08-06 US disclosed
US-10669291-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2020-06-02 US disclosed
US-20190135837-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2019-05-09 US disclosed
US-20180065994-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2018-03-08 US disclosed
WO-2014121124-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2014-08-07 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 (5 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-20200247828-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP RAB9A 627/4885NPC1 216/4885SMN1; SMN2 3037/4885
US-11161858-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP RAB9A 627/4885NPC1 216/4885SMN1; SMN2 3037/4885
US-20180065994-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP RAB9A 627/4885NPC1 216/4885SMN1; SMN2 3037/4885
US-20190135837-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP RAB9A 627/4885NPC1 216/4885SMN1; SMN2 3037/4885
US-10669291-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP RAB9A 627/4885NPC1 216/4885SMN1; SMN2 3037/4885

“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.