SCHEMBL3783672

SCHEMBL3783672

Nc1ccc(NC(=O)OCc2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC3 O15379 1/20 0.52
PTPN1 P18031 2/20 0.50
ENPP2 Q13822 3/20 0.49
MAOB P27338 1/20 0.48
PLAU P00749 1/20 0.47
CASP3 P42574 2/20 0.47
POLB P06746 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
TACR3 P29371 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL3790662 0.96 HDAC1 (0.54) MGLLNPC1RAB9AHDAC1HDAC2
SCHEMBL3790186 0.94 MGLL (0.54) MGLLNPC1RAB9AHDAC1HDAC2
SCHEMBL3792308 0.90 MGLL (0.54) MGLLNPC1RAB9AHDAC1HDAC2
SCHEMBL3792364 0.87 NPC1 (0.51) MGLLNPC1RAB9AHDAC1HDAC2
SCHEMBL3790013 0.86 HDAC1 (0.54) MGLLNPC1RAB9AHDAC1HDAC2
SCHEMBL3791601 0.85 NPC1 (0.58) MGLLNPC1RAB9AHDAC1HDAC2
SCHEMBL3792027 0.85 CHRM3 (0.58) MGLLNPC1RAB9AHDAC1HDAC2
SCHEMBL9524957 0.84 F10 (0.56) MGLLNPC1RAB9AHDAC1HDAC2
SCHEMBL3799839 0.84 MGLL (0.54) MGLLNPC1RAB9AHDAC1HDAC2
SCHEMBL2070051 0.83 CHRM3 (0.49) HDAC1HDAC2HDAC3PTGDR2CHRM2

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 1314/4885NPC1 724/4885RAB9A 1357/4885

“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.