SCHEMBL12879258

SCHEMBL12879258

CC1(C)OB(O)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc21

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 6/20 0.56
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
MCL1 Q07820 1/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
HTT P42858 3/20 0.52
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL12879257 0.92 KMT2A (0.56) MAPTKMT2ASMN1; SMN2POLBGAA
SCHEMBL2310600 0.86 RAB9A (0.52) MAPTKMT2ARAB9ANPC1GAA
SCHEMBL2312000 0.85 RAB9A (0.53) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL2310677 0.84 NPC1 (0.40) MAPTKMT2ARAB9ANPC1POLB
SCHEMBL2312939 0.84 RAB9A (0.42) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL2312590 0.84 GRM4 (0.45) MAPTSMN1; SMN2RAB9ANPC1HTT
SCHEMBL2311473 0.84 MAPT (0.54) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL2311049 0.83 PKM (0.49) MAPTKMT2ARAB9ANPC1
SCHEMBL1164499 0.82 PLG (0.41) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL2311392 0.82 KMT2A (0.39) MAPTKMT2ASMN1; SMN2RAB9ANPC1

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 6 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
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 (3 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-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP MAPT 3310/4885KMT2A 2811/4885SMN1; SMN2 3037/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP MAPT 3310/4885KMT2A 2811/4885SMN1; SMN2 3037/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP MAPT 3310/4885KMT2A 2811/4885SMN1; SMN2 3037/4885

“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.