SCHEMBL12317543

SCHEMBL12317543

CNc1nc(-c2ccccc2B(O)O)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 1/20 0.52
THRB P10828 1/20 0.52
AR P10275 1/20 0.50
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
TSHR P16473 1/20 0.44
VCP P55072 3/20 0.42
AMY1A P0DUB6 1/20 0.42
GSTO1 P78417 3/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL16498183 0.81 RAB9A (0.52) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL38611 0.79 MAPT (0.53) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL19679620 0.79 KMT2A (0.56) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL3226125 0.79 ECE1 (0.43) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL1915608 0.78 AR (0.56) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL1914839 0.78 HSD17B10 (0.60) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL1916379 0.78 NPC1 (0.58) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL11499089 0.77 MEN1 (0.55) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL14048213 0.76 MAPT (0.61) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL24590484 0.75 VCP (0.65) ALDH1A1MAPTMEN1KMT2ATDP1

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
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 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 (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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC ALDH1A1 623/4885MAPT 1763/4885MEN1 1084/4885

“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.