SCHEMBL3789093

SCHEMBL3789093

CC(=O)Nc1cc(NC(C)=O)cc(B(O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
ALDH1A1 P00352 5/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
HSD17B10 Q99714 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CA12 O43570 1/20 0.43
BRD4 O60885 1/20 0.43
NR1I2 O75469 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MB P02144 1/20 0.43
CYP1A1 P04798 1/20 0.43
CA3 P07451 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL30336018 0.86 PIP4K2A (0.44) LMNAALDH1A1GAATDP1SMN1; SMN2
SCHEMBL28970072 0.86 PIP4K2A (0.44) LMNAALDH1A1GAATDP1SMN1; SMN2
SCHEMBL29954272 0.85 PDE3B (0.46) LMNAALDH1A1GAATDP1HSD17B10
SCHEMBL3450025 0.85 PDE3B (0.46) LMNAALDH1A1GAATDP1HSD17B10
SCHEMBL3071609 0.83 LMNA (0.71) LMNAALDH1A1GAATDP1SMN1; SMN2
SCHEMBL25159937 0.82 GPR35 (0.47) LMNAALDH1A1GAATDP1SMN1; SMN2
SCHEMBL8930 0.80 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HSD17B10L3MBTL1NAPRT
SCHEMBL18651006 0.80 LMNA (0.40) LMNAALDH1A1GAATDP1SMN1; SMN2
SCHEMBL3787022 0.79 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2CYP3A4MAPTKDM4E
SCHEMBL9162 0.78 SMN1; SMN2 (0.61) ALDH1A1GAATDP1SMN1; SMN2HSD17B10

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 LMNA 3250/4885ALDH1A1 4339/4885GAA 1755/4885

“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.