SCHEMBL3786429

SCHEMBL3786429

CN(C)C(=O)c1cccc(B(O)O)c1C(=O)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KEAP1 Q14145 1/20 0.44
CXCR2 P25025 5/20 0.35
PKN1 Q16512 1/20 0.35
PKN2 Q16513 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
CCR6 P51684 1/20 0.35
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
CXCR1 P25024 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL1789519 0.82 MEN1 (0.58) MEN1KMT2ASMN1; SMN2KEAP1CXCR2
SCHEMBL29956764 0.82 MEN1 (0.58) MEN1KMT2ASMN1; SMN2KEAP1CXCR2
SCHEMBL31419627 0.80 MEN1 (0.43) MEN1KMT2ASMN1; SMN2KEAP1CXCR2
SCHEMBL29957894 0.80 MEN1 (0.43) MEN1KMT2ASMN1; SMN2KEAP1CXCR2
SCHEMBL3790283 0.79 MEN1 (0.48) MEN1KMT2ASMN1; SMN2KEAP1CXCR2
SCHEMBL3794880 0.76 ALDH1A1 (0.47) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1
SCHEMBL10732362 0.73 KMT2A (0.52) MEN1KMT2ASMN1; SMN2KEAP1CXCR2
SCHEMBL30689988 0.73 KMT2A (0.47) MEN1KMT2ASMN1; SMN2KEAP1CXCR2
SCHEMBL188296 0.73 MEN1 (0.65) MEN1KMT2ASMN1; SMN2KEAP1CXCR2
SCHEMBL6646866 0.71 KMT2A (0.53) MEN1KMT2ASMN1; SMN2KEAP1CXCR2

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 MEN1 174/4885KMT2A 1474/4885SMN1; SMN2 4524/4885

“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.