SCHEMBL3784499

SCHEMBL3784499

Nc1cccc(NC(=O)OCc2ccccc2)c1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
PTPN1 P18031 1/20 0.58
MGLL Q99685 3/20 0.57
CASP3 P42574 1/20 0.55
HDAC1 Q13547 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC3 O15379 2/20 0.54
PLAU P00749 1/20 0.52
ENPP2 Q13822 3/20 0.51
POLB P06746 1/20 0.49
MAOB P27338 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 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
SCHEMBL3781356 0.93 NPC1 (0.56) NPC1RAB9APTPN1MGLLCASP3
SCHEMBL3793237 0.91 MGLL (0.54) NPC1RAB9APTPN1MGLLCASP3
SCHEMBL3789479 0.88 CASP3 (0.60) NPC1RAB9APTPN1MGLLCASP3
SCHEMBL3811403 0.87 NPC1 (0.68) NPC1RAB9APTPN1MGLLCASP3
SCHEMBL3790327 0.82 PTPN1 (0.60) NPC1RAB9APTPN1MGLLCASP3
SCHEMBL3789191 0.82 NPC1 (0.61) NPC1RAB9APTPN1MGLLCASP3
SCHEMBL3792921 0.81 NPC1 (0.57) NPC1RAB9APTPN1MGLLCASP3
SCHEMBL3784629 0.80 HDAC1 (0.72) NPC1RAB9AMGLLHDAC1HDAC2
SCHEMBL3793285 0.80 MGLL (0.63) NPC1RAB9APTPN1MGLLHDAC1
SCHEMBL3784496 0.80 MGLL (0.56) NPC1RAB9APTPN1MGLLCASP3

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 NPC1 724/4885RAB9A 1357/4885PTPN1 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.