SCHEMBL3791102

SCHEMBL3791102

Nc1cccc(-c2ccc(Sc3ccccc3)c(N)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.55
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 4/20 0.47
MEN1 O00255 4/20 0.44
LMNA P02545 3/20 0.44
KMT2A Q03164 3/20 0.44
USP2 O75604 1/20 0.44
HSP90AA1 P07900 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAP4K4 O95819 2/20 0.41
MCL1 Q07820 1/20 0.41
GLA P06280 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL3790365 0.90 KDM4E (0.55) MAOAKDM4EALDH1A1MAPTHPGD
SCHEMBL3783547 0.87 MAOA (0.55) MAOAKDM4EALDH1A1MAPTHPGD
SCHEMBL3785288 0.86 ALDH1A1 (0.50) MAOAKDM4EALDH1A1MAPTHPGD
SCHEMBL3792894 0.82 MAOA (0.69) MAOAKDM4EALDH1A1MAPTHPGD
SCHEMBL9631752 0.82 ALDH1A1 (0.61) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL3791331 0.80 MAOA (0.65) MAOAKDM4EALDH1A1MAPTHPGD
SCHEMBL3804493 0.80 MAPT (0.51) MAOAKDM4EALDH1A1MAPTHPGD
SCHEMBL3790685 0.79 MAOA (0.48) MAOAKDM4EALDH1A1MAPTHPGD
SCHEMBL3790028 0.78 MAOA (0.52) MAOAKDM4EALDH1A1MAPTHPGD
SCHEMBL3788208 0.78 ALDH1A1 (0.48) KDM4EALDH1A1MAPTHPGDMEN1

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 MAOA 348/4885KDM4E 2606/4885ALDH1A1 4339/4885

“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.