SCHEMBL1921491

SCHEMBL1921491

Bc1cccnc1NC(=O)OCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
RAB9A P51151 9/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
HPGD P15428 5/20 0.47
CYP1A2 P05177 4/20 0.47
CYP2C19 P33261 4/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 7/20 0.46
ALDH1A1 P00352 3/20 0.46
NFKB1 P19838 1/20 0.46
STAT1 P42224 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
KDM4E B2RXH2 2/20 0.46
CASP1 P29466 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
MCL1 Q07820 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL4769837 0.85 GAA (0.53) GAAL3MBTL1RAB9ASMN1; SMN2HPGD
SCHEMBL3655453 0.83 SMN1; SMN2 (0.52) GAAL3MBTL1RAB9ASMN1; SMN2HPGD
SCHEMBL1921366 0.83 GAA (0.51) GAAL3MBTL1RAB9ASMN1; SMN2HPGD
SCHEMBL22978462 0.82 CYP1A2 (0.64) GAAL3MBTL1RAB9ASMN1; SMN2HPGD
SCHEMBL8101107 0.80 SMN1; SMN2 (0.49) GAAL3MBTL1RAB9ASMN1; SMN2HPGD
SCHEMBL20843728 0.80 L3MBTL1 (0.52) GAAL3MBTL1RAB9ASMN1; SMN2HPGD
SCHEMBL15348811 0.78 GAA (0.64) GAAL3MBTL1RAB9ASMN1; SMN2HPGD
SCHEMBL20843703 0.77 L3MBTL1 (0.56) GAAL3MBTL1RAB9ASMN1; SMN2HPGD
SCHEMBL1921112 0.76 SMN1; SMN2 (0.59) GAAL3MBTL1RAB9ASMN1; SMN2HPGD
SCHEMBL27723934 0.75 SMN1; SMN2 (0.55) GAAL3MBTL1RAB9ASMN1; SMN2HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1460079-B1 DIHYDROXY(3-PYRIDYL)BORANE COMPOUNDS KOEI CHEMICAL CO (JP) 2011-06-01 EP disclosed
US-7053079-B2 Dihydroxy (3-pyridyl) borane compounds KOEI CHEMICAL COMPANY, LIMITED (JP) 2006-05-30 US disclosed
US-20040254076-A1 Dihydroxy (3-pyridyl) borane compounds KOEI CHEMICAL COMPANY, LIMITED (JP) 2004-12-16 US disclosed
EP-1460079-A1 DIHYDROXY(3-PYRIDYL)BORANE COMPOUNDS Koei Chemical Co., Ltd. (JP) 2004-09-22 EP 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 (1 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-20040254076-A1 Dihydroxy (3-pyridyl) borane compounds CYP24A1, DRD3, HSD3B1 GAA 4343/4885L3MBTL1 2282/4885RAB9A 445/4885

“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.