SCHEMBL3791007

SCHEMBL3791007

CC(C)(C)OC(=O)Nc1cc(N)ccc1-c1ccccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.43
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
AAK1 Q2M2I8 3/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
HDAC1 Q13547 3/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
BRD4 O60885 1/20 0.37
CNR2 P34972 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
IDO1 P14902 1/20 0.36
CNR1 P21554 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
SCHEMBL3784001 0.90 BRD9 (0.43) BRD9HSP90AA1HSP90AB1RXFP1AAK1
SCHEMBL3783723 0.88 BRD9 (0.47) BRD9HSP90AA1HSP90AB1RXFP1SMARCA2
SCHEMBL3792928 0.85 BRD9 (0.46) BRD9RXFP1AAK1HDAC1LMNA
SCHEMBL3786212 0.82 MAP4K4 (0.42) BRD9RXFP1AAK1BRD4CNR2
SCHEMBL25497388 0.82 BRD9 (0.47) BRD9RXFP1HDAC1BRD4CNR2
SCHEMBL2227781 0.82 AAK1 (0.48) RXFP1AAK1HDAC1HDAC3HDAC2
SCHEMBL3781977 0.82 CHRM3 (0.44) BRD9HSP90AA1HSP90AB1RXFP1AAK1
SCHEMBL3792875 0.81 CA12 (0.44) BRD9RXFP1HDAC1BRD4HDAC3
SCHEMBL3789289 0.81 BRD9 (0.45) BRD9HSP90AA1HSP90AB1RXFP1HDAC1
SCHEMBL13606210 0.80 HDAC1 (0.43) BRD9HSP90AA1HSP90AB1RXFP1HDAC1

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 247/4885HSP90AA1 4759/4885HSP90AB1 4609/4885

“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.