SCHEMBL3786444

SCHEMBL3786444

O=C(Nc1cccc(NC(=O)OCc2ccccc2)c1Cl)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
CASP3 P42574 2/20 0.58
MGLL Q99685 1/20 0.56
POLB P06746 1/20 0.55
PLAU P00749 1/20 0.54
PTPN1 P18031 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
MAOB P27338 1/20 0.52
ALDH1A1 P00352 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
ENPP2 Q13822 1/20 0.50
P2RX7 Q99572 1/20 0.50
LMNA P02545 1/20 0.50
GPR35 Q9HC97 1/20 0.50

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
SCHEMBL30207803 0.87 NPC1 (0.68) NPC1RAB9ACASP3MGLLPOLB
SCHEMBL3782118 0.87 NPC1 (0.68) NPC1RAB9ACASP3MGLLPOLB
SCHEMBL3787582 0.85 NPC1 (0.61) NPC1RAB9ACASP3MGLLPOLB
SCHEMBL30207785 0.83 PLAU (0.57) NPC1RAB9ACASP3MGLLPOLB
SCHEMBL30522295 0.82 NPC1 (0.69) NPC1RAB9ACASP3MGLLPOLB
SCHEMBL2233522 0.82 NPC1 (0.69) NPC1RAB9ACASP3MGLLPOLB
SCHEMBL16193532 0.82 NPC1 (0.69) NPC1RAB9ACASP3MGLLPOLB
Formic Acid SCHEMBL27606526 0.82 NPC1 (0.61) NPC1RAB9ACASP3MGLLPOLB
SCHEMBL3781708 0.81 NPC1 (0.64) NPC1RAB9ACASP3MGLLPOLB
SCHEMBL17420472 0.81 NPC1 (0.68) NPC1RAB9ACASP3MGLLPOLB

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 1357/4885CASP3 1228/4885

“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.