SCHEMBL3787582

SCHEMBL3787582

O=C(Nc1cccc(Cl)c1NC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
P2RX7 Q99572 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
PTPN7 P35236 1/20 0.54
OPRM1 P35372 1/20 0.54
OPRK1 P41145 1/20 0.54
HTT P42858 1/20 0.54
DUSP3 P51452 1/20 0.54
CASP3 P42574 2/20 0.54
MGLL Q99685 1/20 0.51
PLAU P00749 1/20 0.50
POLB P06746 1/20 0.50
PTPN1 P18031 1/20 0.50
MAOB P27338 1/20 0.48

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
SCHEMBL3782118 0.88 NPC1 (0.68) NPC1RAB9AP2RX7SMN1; SMN2ALDH1A1
SCHEMBL30207803 0.88 NPC1 (0.68) NPC1RAB9AP2RX7SMN1; SMN2ALDH1A1
SCHEMBL3786444 0.85 NPC1 (0.68) NPC1RAB9AP2RX7SMN1; SMN2ALDH1A1
SCHEMBL6931240 0.84 P2RX7 (0.54) NPC1RAB9AP2RX7SMN1; SMN2ALDH1A1
Formic Acid SCHEMBL27606526 0.83 NPC1 (0.61) NPC1RAB9AP2RX7SMN1; SMN2ALDH1A1
SCHEMBL3788964 0.81 ALDH1A1 (0.75) SMN1; SMN2ALDH1A1MAPTHTTPOLB
SCHEMBL3786419 0.81 NPC1 (0.62) NPC1RAB9AP2RX7SMN1; SMN2ALDH1A1
SCHEMBL27538203 0.80 CA12 (0.52) NPC1RAB9AP2RX7SMN1; SMN2ALDH1A1
SCHEMBL14793789 0.80 NPC1 (0.57) NPC1RAB9AP2RX7SMN1; SMN2ALDH1A1
Formic Acid Methyl Ester SCHEMBL27606485 0.80 NPC1 (0.60) NPC1RAB9AP2RX7SMN1; SMN2ALDH1A1

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 1357/4885P2RX7 656/4885

“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.