SCHEMBL3787235

SCHEMBL3787235

Nc1cccc(-c2cccc(N)c2NC(=O)OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.53
ENPP2 Q13822 3/20 0.53
PTPN1 P18031 2/20 0.47
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC3 O15379 2/20 0.46
CASP3 P42574 1/20 0.44
CHRM3 P20309 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 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
SCHEMBL3784496 0.91 MGLL (0.56) MGLLENPP2PTPN1HDAC1HDAC2
SCHEMBL3784676 0.88 MGLL (0.49) MGLLENPP2PTPN1HDAC1HDAC2
SCHEMBL3792027 0.85 CHRM3 (0.58) MGLLENPP2PTPN1HDAC1HDAC2
SCHEMBL3783994 0.85 MGLL (0.50) MGLLENPP2PTPN1HDAC1HDAC2
SCHEMBL3781969 0.83 PTPN1 (0.55) MGLLENPP2PTPN1HDAC1HDAC2
SCHEMBL3780622 0.82 MGLL (0.62) MGLLENPP2PTPN1HDAC1HDAC2
SCHEMBL3784563 0.82 MGLL (0.62) MGLLENPP2PTPN1NPC1RAB9A
SCHEMBL3793237 0.82 MGLL (0.54) MGLLENPP2PTPN1HDAC1HDAC2
SCHEMBL3790186 0.82 MGLL (0.54) MGLLENPP2PTPN1HDAC1HDAC2
SCHEMBL3799839 0.82 MGLL (0.54) MGLLENPP2PTPN1HDAC1HDAC2

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 MGLL 1314/4885ENPP2 1920/4885PTPN1 3179/4885

“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.