SCHEMBL3781969

SCHEMBL3781969

Nc1cccc(-c2cccc(NC(=O)OCc3ccccc3)c2N)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.55
MGLL Q99685 3/20 0.53
ENPP2 Q13822 3/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CASP3 P42574 1/20 0.52
CHRM3 P20309 3/20 0.51
PLAU P00749 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
MAOB P27338 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
SCHEMBL3792027 0.93 CHRM3 (0.58) PTPN1MGLLENPP2NPC1RAB9A
SCHEMBL3790327 0.91 PTPN1 (0.60) PTPN1MGLLENPP2NPC1RAB9A
SCHEMBL3790337 0.88 NPC1 (0.54) PTPN1MGLLENPP2NPC1RAB9A
SCHEMBL3790186 0.87 MGLL (0.54) PTPN1MGLLENPP2NPC1RAB9A
SCHEMBL3799839 0.87 MGLL (0.54) PTPN1MGLLENPP2NPC1RAB9A
SCHEMBL3793237 0.84 MGLL (0.54) PTPN1MGLLENPP2NPC1RAB9A
SCHEMBL3787235 0.83 MGLL (0.53) PTPN1MGLLENPP2NPC1RAB9A
SCHEMBL3792921 0.83 NPC1 (0.57) PTPN1MGLLENPP2NPC1RAB9A
SCHEMBL3785606 0.82 MGLL (0.57) PTPN1MGLLENPP2NPC1RAB9A
SCHEMBL3790375 0.82 HDAC1 (0.67) MGLLENPP2NPC1RAB9AHDAC3

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

“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.