SCHEMBL2316962

SCHEMBL2316962

CC1(C)OB(O)c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
NPC1 O15118 5/20 0.57
RAB9A P51151 4/20 0.57
KDM4E B2RXH2 3/20 0.57
MAPT P10636 2/20 0.57
PKM P14618 1/20 0.57
BCAT2 O15382 1/20 0.52
POLB P06746 1/20 0.49
MAOB P27338 4/20 0.46
MAOA P21397 1/20 0.46
LMNA P02545 1/20 0.46
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TMPRSS2 O15393 1/20 0.44

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
SCHEMBL2309369 0.88 NPC1 (0.47) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2315942 0.85 KCNK3 (0.51) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2310567 0.84 NPC1 (0.51) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL2312938 0.83 MAPT (0.49) MEN1KMT2ARAB9AMAPTPOLB
SCHEMBL2312567 0.83 MEN1 (0.49) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL2311822 0.83 FKBP5 (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2311392 0.83 KMT2A (0.39) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL2309413 0.83 NPC1 (0.51) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL2313226 0.82 PTPRC (0.44) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL2313316 0.82 JAK3 (0.47) KMT2ANPC1RAB9A

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 MEN1 202/4885KMT2A 2811/4885NPC1 216/4885
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP MEN1 202/4885KMT2A 2811/4885NPC1 216/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP MEN1 202/4885KMT2A 2811/4885NPC1 216/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP MEN1 202/4885KMT2A 2811/4885NPC1 216/4885

“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.