SCHEMBL2310685

SCHEMBL2310685

CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)B(O)OC3(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
KCNK9 Q9NPC2 1/20 0.49
HDAC3 O15379 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
TRPV1 Q8NER1 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL2312595 0.89 PTGS1 (0.52) MEN1KMT2AHDAC3HDAC6HDAC8
SCHEMBL2310567 0.88 NPC1 (0.51) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2312567 0.87 MEN1 (0.49) MEN1KMT2AKCNK9NPC1RAB9A
SCHEMBL2312938 0.87 MAPT (0.49) MEN1KMT2AHDAC3RAB9ACA1
SCHEMBL2309369 0.87 NPC1 (0.47) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2311822 0.86 FKBP5 (0.48) MEN1KMT2AKCNK9NPC1RAB9A
SCHEMBL2310013 0.86 KMT2A (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2312209 0.85 RAB9A (0.47) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL2313721 0.85 DEGS1 (0.48) MEN1KMT2ATRPV1SMN1; SMN2MAPT
SCHEMBL2310666 0.85 NPC1 (0.55) MEN1KMT2AKCNK9NPC1RAB9A

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 9 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-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 MEN1 202/4885KMT2A 2811/4885KCNK9 4100/4885
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP MEN1 202/4885KMT2A 2811/4885KCNK9 4100/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP MEN1 202/4885KMT2A 2811/4885KCNK9 4100/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP MEN1 202/4885KMT2A 2811/4885KCNK9 4100/4885

“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.