SCHEMBL3786749

SCHEMBL3786749

OB(O)c1ccccc1Sc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.46
CHRNA7 P36544 2/20 0.41
MAPT P10636 2/20 0.41
HTR1A P08908 2/20 0.41
HTR3A P46098 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 2/20 0.40
NSD2 O96028 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ENPP2 Q13822 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
BLM P54132 1/20 0.39
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3804714 0.84 SIRT1 (0.41) SIRT1CHRNA7MAPTHTR1AHTR3A
SCHEMBL3784638 0.83 SIRT1 (0.43) SIRT1CHRNA7MAPTHTR1AHTR3A
SCHEMBL3784204 0.80 ALDH1A1 (0.43) SIRT1CHRNA7MAPTHTR1AHTR3A
SCHEMBL3781718 0.80 ALDH1A1 (0.43) SIRT1MAPTHTR1AHTR3ATDP1
SCHEMBL25340918 0.80 SLC6A2 (0.54) MAPTHTR1AHTR3AKDM4EALDH1A1
SCHEMBL3785563 0.78 SIRT1 (0.46) SIRT1CHRNA7MAPTHTR1AHTR3A
SCHEMBL3788215 0.77 HPGD (0.49) SIRT1CHRNA7MAPTHTR1AHTR3A
SCHEMBL795029 0.75 SIRT1 (0.54) SIRT1CHRNA7MAPTHTR1AHTR3A
SCHEMBL24389 0.75 ENPP2 (0.43) MAPTALDH1A1ENPP2KMT2AMEN1
SCHEMBL29367623 0.75 ENPP2 (0.43) MAPTALDH1A1ENPP2KMT2AMEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors MIKOSHIBA, KATSUHIKO (JP) 2004-12-23 US claimed
EP-1444981-A1 INTRACELLULAR CALCIUM CONCENTRATION INCREASE INHIBITORS Mikoshiba, Katsuhiko (JP) 2004-08-11 EP claimed
EP-1485377-B9 PYRANONES USEFUL AS ATM INHIBITORS KUDOS PHARM LTD (GB) 2010-10-06 EP disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1485377-B1 PYRANONES USEFUL AS ATM INHIBITORS KUDOS PHARM LTD (GB) 2009-12-09 EP disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-7217701-B2 Intracellular calcium concentration increase inhibitors KATSUHIKO MIKOSHIBA (JP) 2007-05-15 US disclosed
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors MIKOSHIBA, KATSUHIKO (JP) 2004-12-23 US disclosed
EP-1444981-A1 INTRACELLULAR CALCIUM CONCENTRATION INCREASE INHIBITORS Mikoshiba, Katsuhiko (JP) 2004-08-11 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 (2 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-20040259842-A1 Intracellular calcuim concentration increase inhibitors CAB39, BPGM, ORAI1 SIRT1 4197/4885CHRNA7 1109/4885MAPT 233/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 SIRT1 2959/4885CHRNA7 3342/4885MAPT 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.