SCHEMBL3783994

SCHEMBL3783994

Nc1ccccc1-c1cccc(N)c1NC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.50
CASP3 P42574 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.49
KDM1A O60341 2/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
ENPP2 Q13822 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RCOR1 Q9UKL0 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
PTPN1 P18031 1/20 0.46
TP53 P04637 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
SCHEMBL3784496 0.90 MGLL (0.56) MGLLCASP3NPC1RAB9APOLB
SCHEMBL3784676 0.87 MGLL (0.49) MGLLCASP3NPC1RAB9APOLB
SCHEMBL3787235 0.85 MGLL (0.53) MGLLCASP3NPC1RAB9APOLB
SCHEMBL3789191 0.84 NPC1 (0.61) MGLLCASP3NPC1RAB9APOLB
SCHEMBL3792921 0.84 NPC1 (0.57) MGLLCASP3NPC1RAB9APOLB
SCHEMBL3789479 0.82 CASP3 (0.60) MGLLCASP3NPC1RAB9APOLB
SCHEMBL3780763 0.81 MGLL (0.58) MGLLNPC1RAB9APOLBKDM1A
SCHEMBL7553158 0.81 CASP3 (0.54) MGLLCASP3NPC1RAB9APOLB
SCHEMBL3787405 0.81 MGLL (0.58) MGLLNPC1RAB9APOLBKDM1A
SCHEMBL3786345 0.80 KDM1A (0.60) MGLLNPC1RAB9APOLBKDM1A

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 1314/4885CASP3 1228/4885NPC1 724/4885

“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.