SCHEMBL2316708

SCHEMBL2316708

Cc1ccc(C(=O)Nc2ccc3c(c2)B(O)OC3(C)C)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 5/20 0.46
KMT2A Q03164 4/20 0.46
GLA P06280 1/20 0.46
MCL1 Q07820 1/20 0.46
POLB P06746 1/20 0.44
AVPR2 P30518 1/20 0.43
GPR27 Q9NS67 1/20 0.43
MEN1 O00255 2/20 0.42
PLG P00747 2/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX12 P18054 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
SCHEMBL2309884 0.89 MEN1 (0.42) RAB9ANPC1ALDH1A1KMT2AAVPR2
SCHEMBL15937424 0.89 PLG (0.42) RAB9ANPC1ALDH1A1KMT2APLG
SCHEMBL2312000 0.89 RAB9A (0.53) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL12879233 0.89 GPR27 (0.45) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL2312263 0.87 SMN1; SMN2 (0.54) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL2310567 0.87 NPC1 (0.51) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL2310712 0.81 KCNK3 (0.56) RAB9ANPC1KDM4EMAPTKMT2A
SCHEMBL2313364 0.81 NPC1 (0.56) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL2314521 0.81 NPC1 (0.53) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL2310942 0.81 ALDH1A1 (0.49) RAB9ANPC1ALDH1A1KDM4EMAPT

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 11 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-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-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-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2016-11-24 US disclosed
US-9440994-B2 Boron containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-09-13 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 (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 RAB9A 627/4885NPC1 216/4885ALDH1A1 4684/4885
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP RAB9A 627/4885NPC1 216/4885ALDH1A1 4684/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP RAB9A 627/4885NPC1 216/4885ALDH1A1 4684/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP RAB9A 627/4885NPC1 216/4885ALDH1A1 4684/4885

“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.