SCHEMBL3786672

SCHEMBL3786672

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.60
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 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 1/20 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 1/20 0.54
PTPN1 P18031 1/20 0.54
ROCK2 O75116 1/20 0.53
OPRK1 P41145 1/20 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
SCHEMBL3789239 0.89 MEN1 (0.60) MGLLALDH1A1MAPTMEN1KMT2A
SCHEMBL7383453 0.89 MAPT (0.72) MGLLALDH1A1MAPTMEN1KMT2A
SCHEMBL30207791 0.85 MGLL (0.55) MGLLNPC1RAB9ASMN1; SMN2POLB
SCHEMBL3782118 0.84 NPC1 (0.68) MGLLALDH1A1MEN1KMT2ANPC1
SCHEMBL30207803 0.84 NPC1 (0.68) MGLLALDH1A1MEN1KMT2ANPC1
SCHEMBL8322377 0.84 MAPT (0.58) MGLLALDH1A1MAPTMEN1KMT2A
SCHEMBL11766069 0.83 NPC1 (0.72) MGLLALDH1A1MAPTLMNANPC1
SCHEMBL3040887 0.83 MGLL (0.59) MGLLALDH1A1MAPTMEN1KMT2A
SCHEMBL29951111 0.83 NPC1 (0.52) MGLLALDH1A1MAPTMEN1KMT2A
SCHEMBL3792694 0.82 MGLL (0.62) MGLLPOLB

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 1314/4885ALDH1A1 4339/4885MAPT 3312/4885

“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.