SCHEMBL628410

SCHEMBL628410

COc1cc(C(N)=O)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.50
PARP10 Q53GL7 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
PARP4 Q9UKK3 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
CES2 O00748 1/20 0.46
ADCY8 P40145 2/20 0.45
ADCY1 Q08828 2/20 0.45
NOTUM Q6P988 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
GAA P10253 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL31144953 1.00 PARP1 (0.50) PARP1PARP10CA1CA2PARP2
SCHEMBL11353354 0.84 PARP1 (0.51) PARP1PARP10CA1CA2PARP2
SCHEMBL31133384 0.84 RXRA (0.51) CA1CA2RXRARXRBRXRG
SCHEMBL1189514 0.84 RXRA (0.48) RXRARXRBRXRGCES2ADCY8
SCHEMBL627645 0.84 RXRA (0.51) CA1CA2RXRARXRBRXRG
SCHEMBL3549811 0.83 RXRA (0.47) RXRARXRBRXRGCES2ADCY8
SCHEMBL12098032 0.83 RXRA (0.47) RXRARXRBRXRGCES2ADCY8
SCHEMBL29482057 0.83 CES2 (0.46) CES2NOTUMGAAMAOB
SCHEMBL628084 0.83 RXRA (0.43) RXRARXRBRXRGADCY8ADCY1
SCHEMBL1189091 0.83 NOTUM (0.66) CA1CA2RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2010-07-01 US claimed
EP-1917246-B1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2009-11-11 EP claimed
EP-1917246-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS Novartis AG (CH) 2008-05-07 EP claimed
WO-2007020046-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2007-02-22 WO claimed
WO-2024175804-A1 NUCLEAR TRANSPORT MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-08-29 WO disclosed
US-11834456-B2 11,13-modified saxitoxins for the treatment of pain SITEONE THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
US-11236097-B2 11,13-modified saxitoxins for the treatment of pain SITEONE THERAPEUTICS, INC. (US) 2022-02-01 US disclosed
US-20200102318-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-04-02 US disclosed
EP-2376478-B1 PYRIDYLOXYINDOLES INHIBITORS OF VEGF-R2 AND USE THEREOF FOR TREATMENT OF DISEASE NOVARTIS AG (CH) 2017-04-19 EP disclosed
US-8541432-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2013-09-24 US disclosed
US-8501756-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2013-08-06 US disclosed
US-8492393-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2013-07-23 US disclosed
US-20080275066-A1 Condensed Thiophene Derivatives and Their Use as Cyclic Glp-1 Agonists NOVO NORDISK A/S (DK) 2008-11-06 US disclosed
WO-2008107390-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A CALCILYTIC AGENT NOVARTIS AG (CH) 2008-09-12 WO disclosed
EP-1964548-A1 Pharmaceutical compositions comprising a calcilytic agent Novartis AG (CH) 2008-09-03 EP disclosed
EP-1917246-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS Novartis AG (CH) 2008-05-07 EP disclosed
EP-1765814-A1 CONDENSED THIOPHENE DERIVATIVES AND THEIR USE AS CYCLIC GLP-1 AGONISTS NOVO NORDISK A/S (DK) 2007-03-28 EP disclosed
WO-2007020046-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2007-02-22 WO disclosed
WO-2006003096-A1 CONDENSED THIOPHENE DERIVATIVES AND THEIR USE AS CYCLIC GLP-1 AGONISTS NOVO NORDISK A/S (DK) 2006-01-12 WO disclosed
WO-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO 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 (5 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-11236097-B2 11,13-modified saxitoxins for the treatment of pain SCN11A, SCN10A, CACNA1A PARP1 4824/4885PARP10 3938/4885CA1 1421/4885
US-11834456-B2 11,13-modified saxitoxins for the treatment of pain SCN11A, SCN10A, CACNA1A PARP1 4824/4885PARP10 3938/4885CA1 1421/4885
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES CACNA1A, BMP4, TPX2 PARP1 2516/4885PARP10 1405/4885CA1 1465/4885
US-20080275066-A1 Condensed Thiophene Derivatives and Their Use as Cyclic Glp-1 Agonists GLP1R, GIPR, GCGR PARP1 2877/4885PARP10 4090/4885CA1 3749/4885
US-20200102318-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SCN11A, SCN10A, CACNA1A PARP1 4824/4885PARP10 3938/4885CA1 1421/4885

“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.