SCHEMBL3784629

SCHEMBL3784629

Nc1ccc(-c2ccccc2)cc1NC(=O)OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.72
HDAC2 Q92769 9/20 0.72
HDAC3 O15379 8/20 0.72
MGLL Q99685 3/20 0.63
KCNH2 Q12809 1/20 0.58
ENPP2 Q13822 2/20 0.57
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL3790332 0.95 HDAC1 (0.69) HDAC1HDAC2HDAC3MGLLKCNH2
SCHEMBL3790375 0.92 HDAC1 (0.67) HDAC1HDAC2HDAC3MGLLKCNH2
SCHEMBL3793285 0.89 MGLL (0.63) HDAC1HDAC2HDAC3MGLLKCNH2
SCHEMBL3783894 0.88 HDAC1 (0.68) HDAC1HDAC2HDAC3MGLLKCNH2
SCHEMBL13833537 0.84 HDAC1 (1.00) HDAC1HDAC2HDAC3
SCHEMBL3790841 0.84 HDAC1 (0.57) HDAC1HDAC2HDAC3MGLLKCNH2
SCHEMBL8106177 0.83 HDAC1 (1.00) HDAC1HDAC2HDAC3KCNH2
SCHEMBL3811403 0.83 NPC1 (0.68) HDAC1HDAC2HDAC3MGLLNPC1
SCHEMBL3785606 0.82 MGLL (0.57) HDAC1HDAC2HDAC3MGLLENPP2
SCHEMBL3642625 0.80 HDAC1 (0.75) HDAC1HDAC2HDAC3KCNH2

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 HDAC1 1686/4885HDAC2 549/4885HDAC3 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.