SCHEMBL9965265

SCHEMBL9965265

CN(C)c1ccc2c(-c3ccc(C(=O)NCCOCCOc4ccc(CCCl)cc4)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.62
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
P2RY6 Q15077 1/20 0.55
GBA1 P04062 3/20 0.54
ITPR1 Q14643 1/20 0.51
ADORA2A P29274 1/20 0.50
GPR3 P46089 4/20 0.48
ADORA3 P0DMS8 1/20 0.48
SLC5A2 P31639 2/20 0.48
MAP3K5 Q99683 1/20 0.47
HTR3A P46098 1/20 0.46
P2RY2 P41231 1/20 0.44

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
SCHEMBL16730993 0.92 HRH3 (0.53) HRH3CA12CA1CA2CA9
SCHEMBL4401285 0.89 HRH3 (0.59) HRH3CA12CA1CA2CA9
SCHEMBL14013426 0.85 P2RY6 (0.67) HRH3CA12CA1CA2CA9
SCHEMBL4407993 0.85 HRH3 (0.56) HRH3CA12CA1CA2CA9
SCHEMBL18089788 0.83 P2RY6 (0.58) HRH3CA12CA1CA2CA9
SCHEMBL21124663 0.83 GBA1 (0.56) HRH3CA12CA1CA2CA9
SCHEMBL4435583 0.82 ESR1 (0.58) CA12CA1CA2CA9SLC5A2
SCHEMBL14365817 0.82 P2RY6 (0.56) HRH3CA12CA1CA2CA9
SCHEMBL21125050 0.82 P2RY6 (0.58) HRH3CA12CA1CA2CA9
SCHEMBL12635290 0.82 HRH3 (0.51) HRH3CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9416353-B2 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION (US) 2016-08-16 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-8779221-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 (US) 2014-07-15 US disclosed
US-20120330001-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 PROMEGA CORPORATION (US) 2012-12-27 US disclosed
US-8202700-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 (US) 2012-06-19 US disclosed
US-20110207195-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 PROMEGA CORPORATION (US) 2011-08-25 US disclosed
US-7935803-B2 Expression vector comprising nucleotide sequences coding dehalogenase for use as tool to enhance labeling of biomolecules PROMEGA CORPORATION (US) 2011-05-03 US disclosed
US-7935803-B2 Expression vector comprising nucleotide sequences coding dehalogenase for use as tool to enhance labeling of biomolecules PROMEGA CORPORATION (US) 2011-05-03 US disclosed
US-7888086-B2 mutant hydrolase forms stable bond with dehalogenase substrate; beta-lactamases; fusion proteins; cell labelling; tissue target therapy PROMEGA CORPORATION (US) 2011-02-15 US disclosed
US-7888086-B2 mutant hydrolase forms stable bond with dehalogenase substrate; beta-lactamases; fusion proteins; cell labelling; tissue target therapy PROMEGA CORPORATION (US) 2011-02-15 US disclosed
US-20090098627-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 PROMEGA CORPORATION 2009-04-16 US disclosed
US-20090098627-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 PROMEGA CORPORATION 2009-04-16 US disclosed
US-20080274488-A1 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION 2008-11-06 US disclosed
US-20080274488-A1 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION 2008-11-06 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-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 (3 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-20070087400-A1 Covalent tethering of functional groups to proteins and substrates therefor WASF2, NOTUM, YIPF5 HRH3 2407/4885CA12 4286/4885CA1 3873/4885
US-20170097356-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR WASF2, NOTUM, YIPF5 HRH3 2407/4885CA12 4286/4885CA1 3873/4885
US-20120330001-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 HRH3 951/4885CA12 1929/4885CA1 1817/4885

“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.