SCHEMBL2310013

SCHEMBL2310013

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
RARA P10276 1/20 0.50
RARB P10826 1/20 0.50
RARG P13631 1/20 0.50
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
ATM Q13315 1/20 0.48
KDM4E B2RXH2 1/20 0.46
PTPN1 P18031 1/20 0.46
PSMD14 O00487 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
MAPT P10636 1/20 0.44
HDAC1 Q13547 1/20 0.44
MEN1 O00255 2/20 0.43
CA12 O43570 1/20 0.43

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
SCHEMBL2310666 0.89 NPC1 (0.55) KMT2ARAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL2310567 0.88 NPC1 (0.51) KMT2ARARARARBRARGRAB9A
SCHEMBL2312209 0.87 RAB9A (0.47) KMT2ARARARARBRARGRAB9A
SCHEMBL2312938 0.87 MAPT (0.49) KMT2ARARARARBRARGRAB9A
SCHEMBL2312567 0.87 MEN1 (0.49) KMT2ARARARARBRARGRAB9A
SCHEMBL2309369 0.87 NPC1 (0.47) KMT2ARARARARBRARGRAB9A
SCHEMBL2311822 0.86 FKBP5 (0.48) KMT2ARARARARBRARGRAB9A
SCHEMBL2310685 0.86 MEN1 (0.50) KMT2ARAB9ANPC1ATMKDM4E
SCHEMBL2310596 0.85 TRPV1 (0.54) KMT2ARAB9ANPC1SMN1; SMN2HDAC1
SCHEMBL12431415 0.85 RAB9A (0.53) KMT2ARAB9ANPC1SMN1; SMN2CASP3

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 10 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-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 KMT2A 2811/4885CTDSP1 1690/4885RARA 3075/4885
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP KMT2A 2811/4885CTDSP1 1690/4885RARA 3075/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP KMT2A 2811/4885CTDSP1 1690/4885RARA 3075/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP KMT2A 2811/4885CTDSP1 1690/4885RARA 3075/4885

“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.