SCHEMBL1815790

SCHEMBL1815790

N#Cc1cc(N)ncc1SCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
MAOA P21397 3/20 0.51
MAOB P27338 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 7/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 3/20 0.43
PPARG P37231 2/20 0.43
NCOA2 Q15596 2/20 0.43
TP53 P04637 1/20 0.43
NCOA1 Q15788 1/20 0.43
ESR2 Q92731 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
XDH P47989 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL29900511 0.79 ALDH1A1 (0.60) POLBMAOAMAOBSMN1; SMN2NPC1
SCHEMBL23092695 0.79 ALDH1A1 (0.60) POLBMAOAMAOBSMN1; SMN2NPC1
SCHEMBL4014797 0.77 MAOA (0.59) POLBMAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL1818844 0.77 POLB (0.56) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10470690 0.76 MAOA (0.50) POLBMAOAMAOBSMN1; SMN2NPC1
SCHEMBL23833475 0.76 POLB (0.54) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1819828 0.75 ALDH1A1 (0.51) POLBMAOAMAOBSMN1; SMN2NPC1
SCHEMBL1818581 0.74 GSK3B (0.51) MAOAMAOBSMN1; SMN2ALDH1A1XDH
SCHEMBL9933158 0.73 POLB (0.59) POLBMAOAMAOBSMN1; SMN2NPC1
SCHEMBL20872955 0.73 MAOA (0.54) POLBMAOAMAOBSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011060199-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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD POLB 721/4885MAOA 2465/4885MAOB 301/4885

“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.