SCHEMBL3786368

SCHEMBL3786368

O=C(Nc1ccc(Cl)cc1NC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
CASP3 P42574 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
OPRK1 P41145 1/20 0.54
MGLL Q99685 1/20 0.52
MAOB P27338 1/20 0.52
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
PLAU P00749 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
PTGER1 P34995 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL16193637 0.89 ALOX15 (0.61) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL1131165 0.89 CASP3 (0.61) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL8479003 0.87 CASP3 (0.62) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL29952405 0.85 CASP3 (0.54) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL1095126 0.85 CASP3 (0.58) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL29956641 0.85 CASP3 (0.53) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL12772987 0.82 NPC1 (0.58) NPC1RAB9ACASP3MGLLMAOB
SCHEMBL4355908 0.82 NPC1 (0.55) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL14793789 0.81 NPC1 (0.57) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL3795024 0.80 POLB (0.68) MEN1KMT2ANPC1RAB9AMGLL

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 MEN1 174/4885KMT2A 1474/4885NPC1 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.