SCHEMBL4433199

SCHEMBL4433199

CN(C)c1ccc(-c2cnc(-c3ccc(S(=O)(=O)NCCC(=O)NCCOCCOCCCCCCCl)cc3)[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SLC9A3 P48764 7/20 0.38
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL16730754 0.86 HDAC1 (0.40)
SCHEMBL997019 0.83 HTR6 (0.40) MAPTALDH1A1SLC9A3HTTL3MBTL1
SCHEMBL18950705 0.83 MAPT (0.43) MAPTALDH1A1SLC9A3HTTL3MBTL1
SCHEMBL18677725 0.81 HDAC1 (0.30)
SCHEMBL18950706 0.63 HDAC1 (0.34)
SCHEMBL23511351 0.62 FAAH (0.53) MAPTALDH1A1
SCHEMBL30945265 0.62 MEN1 (0.47) MAPTALDH1A1HTT
SCHEMBL23511352 0.62 MEN1 (0.47) MAPTALDH1A1HTT
SCHEMBL31506950 0.61 HDAC1 (0.34)
SCHEMBL25044413 0.61 FAAH (0.44) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028424-B2 Covalent tethering of functional groups to proteins PROMEGA CORPORATION (US) 2021-06-08 US disclosed
US-20190218592-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS PROMEGA CORPORATION 2019-07-18 US disclosed
US-10240184-B2 Covalent tethering of functional groups to proteins PROMEGA CORPORATION (US) 2019-03-26 US disclosed
US-20190085305-A1 METHOD OF IMMOBILIZING A PROTEIN OR MOLECULE VIA A MUTANT DEHALOGENASE THAT IS BOUND TO AN IMMOBILIZED DEHALOGENASE SUBSTRATE AND LINKED DIRECTLY OR INDIRECTLY TO THE PROTEIN OR MOLECULE JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2019-03-21 US disclosed
US-20170097356-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2017-04-06 US disclosed
US-20170088877-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2017-03-30 US disclosed
US-9540402-B2 Covalent tethering of functional groups to proteins PROMEGA CORPORATION (US) 2017-01-10 US disclosed
US-9416353-B2 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION (US) 2016-08-16 US disclosed
US-20160031911-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2016-02-04 US disclosed
US-20150125924-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2015-05-07 US disclosed
US-7429472-B2 Method of immobilizing a protein or molecule via a mutant dehalogenase that is bound to an immobilized dehalogenase substrate and linked directly or indirectly to the protein or molecule PROMEGA CORPORATION 2008-09-30 US disclosed
US-7429472-B2 Method of immobilizing a protein or molecule via a mutant dehalogenase that is bound to an immobilized dehalogenase substrate and linked directly or indirectly to the protein or molecule PROMEGA CORPORATION 2008-09-30 US disclosed
US-7425436-B2 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION (US) 2008-09-16 US disclosed
US-7425436-B2 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION (US) 2008-09-16 US disclosed
US-20080026407-A1 Covalent tethering of functional groups to proteins PROMEGA CORPORATION 2008-01-31 US disclosed
US-20080026407-A1 Covalent tethering of functional groups to proteins PROMEGA CORPORATION 2008-01-31 US disclosed
US-7238842-B2 Covalent tethering of functional groups to proteins PROMEGA CORPORATION (US) 2007-07-03 US disclosed
US-7238842-B2 Covalent tethering of functional groups to proteins PROMEGA CORPORATION (US) 2007-07-03 US disclosed
US-20070087400-A1 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION 2007-04-19 US disclosed
US-20070087400-A1 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION 2007-04-19 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 (9 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-20170088877-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS GGT1, HDHD5, DNPH1 MAPT 4294/4885ALDH1A1 1284/4885SLC9A3 4305/4885
US-20070087400-A1 Covalent tethering of functional groups to proteins and substrates therefor WASF2, NOTUM, YIPF5 MAPT 4367/4885ALDH1A1 2110/4885SLC9A3 4163/4885
US-20170097356-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR WASF2, NOTUM, YIPF5 MAPT 4367/4885ALDH1A1 2110/4885SLC9A3 4163/4885
US-20190085305-A1 METHOD OF IMMOBILIZING A PROTEIN OR MOLECULE VIA A MUTANT DEHALOGENASE THAT IS BOUND TO AN IMMOBILIZED DEHALOGENASE SUBSTRATE AND LINKED DIRECTLY OR INDIRECTLY TO THE PROTEIN OR MOLECULE HDHD5, DDT, DDAH1 MAPT 4393/4885ALDH1A1 690/4885SLC9A3 4251/4885
US-20190218592-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS GGT1, HDHD5, DNPH1 MAPT 4294/4885ALDH1A1 1284/4885SLC9A3 4305/4885
US-11028424-B2 Covalent tethering of functional groups to proteins GGT1, HDHD5, DNPH1 MAPT 4294/4885ALDH1A1 1284/4885SLC9A3 4305/4885
US-20080026407-A1 Covalent tethering of functional groups to proteins GGT1, HDHD5, DNPH1 MAPT 4294/4885ALDH1A1 1284/4885SLC9A3 4305/4885
US-20160031911-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS GGT1, HDHD5, DNPH1 MAPT 4294/4885ALDH1A1 1284/4885SLC9A3 4305/4885
US-10240184-B2 Covalent tethering of functional groups to proteins GGT1, HDHD5, DNPH1 MAPT 4294/4885ALDH1A1 1284/4885SLC9A3 4305/4885

“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.