Sugi Predict

Sugi Predict / Compounds / SCHEMBL1163597

SCHEMBL1163597

SCHEMBL1163597

O=C1C=CC(=O)N1Sc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 16/20 0.50
▸ TLR9 Q9NR96 1/20 0.46
▸ FAAH O00519 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ HSP90AA1 P07900 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ ATM Q13315 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ GSK3A P49840 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ RUNX1 Q01196 1/20 0.40
▸ CBFB Q13951 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL28198098 0.77 MGLL (0.54) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL2409232 0.77 RAB9A (0.50) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL812586 0.74 MAPT (0.52) MGLLALDH1A1HPGDMAPTHSD17B10
SCHEMBL809458 0.74 CASP3 (0.48) ALDH1A1HPGDMAPTHSD17B10ALOX12
SCHEMBL30872008 0.74 CASP3 (0.48) ALDH1A1HPGDMAPTHSD17B10ALOX12
SCHEMBL1165632 0.71 MAPT (0.44) MGLLTLR9ALDH1A1HTTHPGD
SCHEMBL28288333 0.71 MGLL (0.75) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL11643034 0.70 MAPT (0.47) MGLLFAAHALDH1A1HSP90AA1HTT
SCHEMBL11593996 0.70 MGLL (0.65) MGLLFAAHALDH1A1HSP90AA1HTT
SCHEMBL20503175 0.70 ALDH1A1 (0.43) MGLLALDH1A1HPGDMAPTHSD17B10

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10933142-B2 Reversible covalent linkage of functional molecules UCL BUSINESS LTD (GB) 2021-03-02 — — US disclosed
US-20200108150-A1 REVERSIBLE COVALENT LINKAGE OF FUNCTIONAL MOLECULES UCL BUSINESS LTD (GB) 2020-04-09 — — US disclosed
US-10548982-B2 Reversible covalent linkage of functional molecules UCL BUSINESS LTD (GB) 2020-02-04 — — US disclosed
US-20190142950-A1 Reversible Covalent Linkage of Functional Molecules UCL BUSINESS LTD (GB) 2019-05-16 — — US disclosed
US-10174094-B2 Reversible covalent linkage of functional molecules UCL BUSINESS PLC (GB) 2019-01-08 — — US disclosed
US-20160176942-A1 Reversible Covalent Linkage of Functional Molecules UCL BUSINESS PLC (GB) 2016-06-23 — — US disclosed
US-9295729-B2 Reversible covalent linkage of functional molecules UCL BUSINESS PLC (GB) 2016-03-29 — — US disclosed
EP-2889624-A2 Reversible covalent linkage of functional molecules UCL Business PLC (GB) 2015-07-01 — — EP disclosed
EP-2549276-B1 Reversible covalent linkage of functional molecules UCL BUSINESS PLC (GB) 2015-02-25 — — EP disclosed
EP-2549276-A2 Reversible covalent linkage of functional molecules UCL Business PLC (GB) 2013-01-23 — — EP disclosed
US-20120190579-A1 Functionalisation of Solid Substrates UCL BUSINESS PLC (GB) 2012-07-26 — — US disclosed
EP-2464972-A1 REVERSIBLE COVALENT LINKAGE OF FUNCTIONAL MOLECULES UCL Business PLC (GB) 2012-06-20 — — EP disclosed
EP-2464974-A1 FUNCTIONALISATION OF SOLID SUBSTRATES UCL Business PLC (GB) 2012-06-20 — — EP disclosed
WO-2011018613-A1 FUNCTIONALISATION OF SOLID SUBSTRATES UCL BUSINESS PLC (GB) 2011-02-17 — — WO disclosed
WO-2011018611-A1 REVERSIBLE COVALENT LINKAGE OF FUNCTIONAL MOLECULES UCL BUSINESS PLC (GB) 2011-02-17 — — WO disclosed
US-4511698-A Curable composition of epichlorohydrin rubber and acrylic rubber and cured composition therefrom OSAKA SODA CO. LTD. (JP) 1985-04-16 — — US disclosed
US-4357446-A CROSSLINKING AGENT IS 2,3-DIMERCAPTO-PYRAZINE OR-QUINOXALINE OSAKA SODA CO. LTD. (JP) 1982-11-02 — — US disclosed
US-4342851-A WITH A 2,4-DITHIOHYDANTOIN CROSSLINKING AGENT OSAKA SODA CO. LTD. (JP) 1982-08-03 — — US disclosed
US-4119780-A 2(Isopropyldithio)benzimidazole MONSANTO COMPANY (US) 1978-10-10 — — US disclosed
US-4006155-A Method for preparation of phosphorus polysulfides MONSANTO COMPANY (US) 1977-02-01 — — US 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 (7 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-10174094-B2 Reversible covalent linkage of functional molecules F12, F13A1, F2 MGLL 4714/4885TLR9 3876/4885FAAH 1171/4885
US-20190142950-A1 Reversible Covalent Linkage of Functional Molecules F12, F13A1, F2 MGLL 4714/4885TLR9 3876/4885FAAH 1171/4885
US-20120190579-A1 Functionalisation of Solid Substrates XDH, SPR, DAO MGLL 3777/4885TLR9 4103/4885FAAH 3672/4885
US-20160176942-A1 Reversible Covalent Linkage of Functional Molecules F12, F13A1, F2 MGLL 4714/4885TLR9 3876/4885FAAH 1171/4885
US-10548982-B2 Reversible covalent linkage of functional molecules F12, F13A1, F2 MGLL 4714/4885TLR9 3876/4885FAAH 1171/4885
US-10933142-B2 Reversible covalent linkage of functional molecules F12, F13A1, F2 MGLL 4714/4885TLR9 3876/4885FAAH 1171/4885
US-20200108150-A1 REVERSIBLE COVALENT LINKAGE OF FUNCTIONAL MOLECULES F12, F13A1, F2 MGLL 4698/4885TLR9 3826/4885FAAH 874/4885

“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.