SCHEMBL1822673

SCHEMBL1822673

Cc1nc(Cc2cccc(N)c2)no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ENPP1 P22413 1/20 0.41
TSHR P16473 2/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
MAP4K4 O95819 1/20 0.39
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 2/20 0.37
KLKB1 P03952 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.37
HPGD P15428 1/20 0.37
CHUK O15111 1/20 0.36

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
SCHEMBL14415472 0.81 L3MBTL1 (0.54) L3MBTL1MAPK1TDP1SMN1; SMN2NPC1
SCHEMBL4834082 0.80 TDP1 (0.45) L3MBTL1MAPK1TDP1SMN1; SMN2NPC1
SCHEMBL13037373 0.80 KLKB1 (0.48) KLKB1
SCHEMBL2656622 0.80 MAPK1 (0.61) L3MBTL1MAPK1TDP1SMN1; SMN2NPC1
SCHEMBL13684194 0.79 MEN1 (0.55) L3MBTL1MAPK1TSHRLMNAMEN1
SCHEMBL24098510 0.77 MAPK1 (0.43) L3MBTL1MAPK1TDP1SMN1; SMN2NPC1
SCHEMBL1824004 0.76 ALDH1A1 (0.49) ENPP1TSHRCYP19A1ALDH1A1LMNA
SCHEMBL13684193 0.73 MMP2 (0.46) L3MBTL1MAPK1TDP1SMN1; SMN2NPC1
SCHEMBL12284250 0.71 L3MBTL1 (0.35) L3MBTL1MAPK1TDP1SMN1; SMN2NPC1
SCHEMBL49433 0.71 MAOB (0.62) TDP1TSHRMAOAMAOBCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461134-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
WO-2011060196-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 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 (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-20110172187-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD L3MBTL1 270/4885MAPK1 2478/4885TDP1 2867/4885

“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.