SCHEMBL3790236

SCHEMBL3790236

CC(=O)Nc1ccc(B(O)O)cc1NC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPK1 P28482 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 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
SCHEMBL15279864 0.85 ALDH1A1 (0.52) MAPTNPC1POLBRAB9AALDH1A1
SCHEMBL30881591 0.84 HDAC1 (0.55) MAPTNPC1POLBRAB9AKDM4E
SCHEMBL23795788 0.84 HDAC1 (0.55) MAPTNPC1POLBRAB9AKDM4E
SCHEMBL4547746 0.84 HDAC1 (0.44) MAPTNPC1POLBRAB9AKDM4E
SCHEMBL3787924 0.81 HPGD (0.62) MAPTHSD17B10ALDH1A1HPGDCA1
SCHEMBL29953938 0.81 HSD17B1 (0.54) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL13624846 0.81 KMT2A (0.50) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL3785135 0.80 L3MBTL1 (0.46) MAPTRAB9AKDM4EALDH1A1HPGD
SCHEMBL29955195 0.80 RAB9A (0.42) MAPTNPC1POLBRAB9AKDM4E
SCHEMBL29954819 0.80 ALDH1A1 (0.42) MAPTNPC1POLBRAB9AKDM4E

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 MAPT 3312/4885NPC1 724/4885POLB 2303/4885

“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.