SCHEMBL3789239

SCHEMBL3789239

O=C(Nc1ccc(NC(=O)OCc2ccccc2)c(Cl)c1)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MGLL Q99685 2/20 0.60
MAPT P10636 3/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
TP53 P04637 2/20 0.57
TSHR P16473 1/20 0.57
ATM Q13315 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
POLB P06746 1/20 0.56
ENPP2 Q13822 2/20 0.54
ROCK2 O75116 1/20 0.53
OPRK1 P41145 2/20 0.53

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
SCHEMBL3786672 0.89 MGLL (0.60) MEN1KMT2AMGLLMAPTALDH1A1
SCHEMBL7383453 0.89 MAPT (0.72) MEN1KMT2AMGLLMAPTALDH1A1
SCHEMBL14793789 0.87 NPC1 (0.57) MEN1KMT2AMGLLMAPTALDH1A1
SCHEMBL23612093 0.85 MEN1 (0.65) MEN1KMT2AMGLLMAPTALDH1A1
SCHEMBL12583048 0.85 NPC1 (0.62) MEN1KMT2AMGLLMAPTALDH1A1
SCHEMBL872000 0.85 NPC1 (0.55) MGLLNPC1RAB9ASMN1; SMN2POLB
SCHEMBL3782118 0.84 NPC1 (0.68) MEN1KMT2AMGLLALDH1A1NPC1
SCHEMBL30207803 0.84 NPC1 (0.68) MEN1KMT2AMGLLALDH1A1NPC1
SCHEMBL31525903 0.84 NPC1 (0.57) MEN1KMT2AMGLLMAPTNPC1
SCHEMBL3040887 0.83 MGLL (0.59) MEN1KMT2AMGLLMAPTALDH1A1

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 1474/4885MGLL 1314/4885

“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.