SCHEMBL2310600

SCHEMBL2310600

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
MAPT P10636 4/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NR1H4 Q96RI1 2/20 0.49
AVPR2 P30518 1/20 0.49
GPR27 Q9NS67 1/20 0.49
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
ATM Q13315 1/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
PYGL P06737 1/20 0.44
TP53 P04637 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
SCHEMBL2312000 0.90 RAB9A (0.53) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL2312590 0.89 GRM4 (0.45) RAB9ANPC1MAPTAVPR2PYGL
SCHEMBL2310677 0.89 NPC1 (0.40) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL2314797 0.89 GPR27 (0.44) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL2312265 0.89 BACE1 (0.51) RAB9ANPC1KMT2AGAAGPR27
SCHEMBL2312939 0.89 RAB9A (0.42) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL2313328 0.88 GRM5 (0.45) RAB9ANPC1KMT2AGAA
SCHEMBL2311049 0.87 PKM (0.49) RAB9ANPC1KMT2AMAPTJAK2
SCHEMBL1164499 0.87 PLG (0.41) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL1164348 0.86 JAK3 (0.42) RAB9ANPC1MEN1KMT2AMAPT

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 RAB9A 627/4885NPC1 216/4885MEN1 202/4885
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP RAB9A 627/4885NPC1 216/4885MEN1 202/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP RAB9A 627/4885NPC1 216/4885MEN1 202/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP RAB9A 627/4885NPC1 216/4885MEN1 202/4885

“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.