SCHEMBL3786531

SCHEMBL3786531

CC(C)(C)OC(=O)Nc1cccc(N)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.51
RXFP1 Q9HBX9 1/20 0.44
METAP1 P53582 1/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC3 O15379 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CNR2 P34972 1/20 0.43
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
FABP4 P15090 1/20 0.40
MAPK1 P28482 1/20 0.40
GRM6 O15303 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 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
SCHEMBL3784704 0.90 METAP1 (0.44) BRD9RXFP1METAP1HDAC1HDAC3
SCHEMBL3783438 0.88 BRD9 (0.46) BRD9RXFP1METAP1HDAC1HDAC3
SCHEMBL3788603 0.86 HSP90AA1 (0.46) BRD9RXFP1METAP1HDAC1HDAC3
SCHEMBL211033 0.85 HDAC1 (0.52) BRD9RXFP1METAP1HDAC1HDAC3
SCHEMBL29353000 0.85 HDAC1 (0.52) BRD9RXFP1METAP1HDAC1HDAC3
SCHEMBL3786651 0.82 BRD9 (0.47) BRD9RXFP1HDAC1HDAC3HDAC2
SCHEMBL12598517 0.81 BRD9 (0.45) BRD9RXFP1METAP1HDAC1HDAC3
SCHEMBL1172444 0.81 RXFP1 (0.44) BRD9RXFP1METAP1HDAC1HDAC3
SCHEMBL29448807 0.79 RXFP1 (0.46) BRD9RXFP1METAP1HDAC1HDAC3
SCHEMBL29286688 0.79 RXFP1 (0.46) BRD9RXFP1METAP1HDAC1HDAC3

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 BRD9 247/4885RXFP1 4257/4885METAP1 3547/4885

“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.