SCHEMBL2312939

SCHEMBL2312939

CC1(C)OB(O)c2cc(NC(=O)c3ccc(Br)cc3Cl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
KMT2A Q03164 5/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 6/20 0.39
JAK3 P52333 1/20 0.39
BTK Q06187 1/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL2312000 0.90 RAB9A (0.53) RAB9ANPC1KMT2AGAASMN1; SMN2
SCHEMBL2310600 0.89 RAB9A (0.52) RAB9ANPC1KMT2AGAAMEN1
SCHEMBL12879233 0.88 GPR27 (0.45) RAB9ANPC1KMT2AGAASMN1; SMN2
SCHEMBL2310677 0.87 NPC1 (0.40) RAB9ANPC1KMT2AGAAMEN1
SCHEMBL2312590 0.87 GRM4 (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2311049 0.85 PKM (0.49) RAB9ANPC1KMT2AMAPT
SCHEMBL1164499 0.85 PLG (0.41) RAB9ANPC1KMT2AGAASMN1; SMN2
SCHEMBL2314797 0.85 GPR27 (0.44) RAB9ANPC1KMT2AGAASMN1; SMN2
SCHEMBL12879258 0.84 MAPT (0.59) RAB9ANPC1KMT2AGAASMN1; SMN2
SCHEMBL2311392 0.84 KMT2A (0.39) RAB9ANPC1KMT2AGAASMN1; SMN2

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 216/4885KMT2A 2811/4885
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP RAB9A 627/4885NPC1 216/4885KMT2A 2811/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP RAB9A 627/4885NPC1 216/4885KMT2A 2811/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP RAB9A 627/4885NPC1 216/4885KMT2A 2811/4885

“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.