SCHEMBL3784538

SCHEMBL3784538

CC(=O)Oc1cc(-c2ccccc2)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC3 O15379 2/20 0.54
CFD P00746 1/20 0.51
IKBKB O14920 1/20 0.51
MAPT P10636 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
BACE1 P56817 3/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 4/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAOB P27338 1/20 0.47
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
ESR1 P03372 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46

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
SCHEMBL8681017 0.91 ALDH1A1 (0.55) HDAC2HDAC1HDAC3CFDMAPT
SCHEMBL3787915 0.88 CFD (0.49) HDAC2HDAC1HDAC3CFDIKBKB
Acetamide SCHEMBL5081796 0.88 ALDH1A1 (0.52) HDAC2HDAC1HDAC3CFDIKBKB
SCHEMBL3786040 0.87 MCL1 (0.45) HDAC2HDAC1HDAC3CFDMAPT
SCHEMBL3784778 0.87 CFD (0.56) HDAC2HDAC1HDAC3CFDIKBKB
SCHEMBL27318392 0.84 CFD (0.61) CFDMAPTTDP1BACE1LMNA
SCHEMBL3792139 0.84 BACE1 (0.43) CFDTDP1BACE1LMNAALDH1A1
Diacetamide SCHEMBL5081802 0.83 CFD (0.47) HDAC2HDAC1HDAC3CFDMAPT
SCHEMBL9458572 0.81 CFD (0.53) HDAC1CFDMAPTTDP1BACE1
SCHEMBL27827831 0.81 ACHE (0.54) CFDMAPTTDP1BACE1LMNA

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 HDAC2 549/4885HDAC1 1686/4885HDAC3 2675/4885

“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.