SCHEMBL3783945

SCHEMBL3783945

O=C(c1ccccc1)N(C(=O)c1ccccc1)c1ccc2cc1-2.OBO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
LTB4R2 Q9NPC1 1/20 0.34
RAB9A P51151 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
DAO P14920 1/20 0.33
TSHR P16473 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
KMO O15229 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL7200742 0.75 MEN1 (0.46) ALDH1A1MAPTHPGDLTB4R2TDP1
SCHEMBL28698501 0.74 MEN1 (0.44) ALDH1A1MAPTHPGDLTB4R2TDP1
SCHEMBL3783931 0.74 KMO (0.40) ALDH1A1MAPTHPGDRAB9ATDP1
SCHEMBL3780927 0.72 SMN1; SMN2 (0.48) ALDH1A1HPGDRAB9ATDP1L3MBTL1
SCHEMBL2590921 0.72 KDM4E (0.33) ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL3785141 0.71 MEN1 (0.32) MEN1KMT2ASMN1; SMN2
SCHEMBL3787932 0.71 SLC6A2 (0.33)
SCHEMBL3784941 0.68 BRD4 (0.35)
SCHEMBL14736324 0.66 ALDH1A1 (0.52) ALDH1A1MAPTHPGDRAB9ATDP1
SCHEMBL5178635 0.66 MEN1 (0.47) ALDH1A1MAPTHPGDRAB9ATDP1

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 ALDH1A1 4339/4885MAPT 3312/4885HPGD 2790/4885

“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.