SCHEMBL7206881

SCHEMBL7206881

C[S+]([O-])c1ccc2c(c1)CC(=O)N2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 4/20 0.56
▸ GRIA1 P42261 2/20 0.50
▸ CACNG8 Q8WXS5 2/20 0.50
▸ PDE3B Q13370 1/20 0.50
▸ PDE3A Q14432 1/20 0.50
▸ PDK2 Q15119 1/20 0.48
▸ EPHX2 P34913 1/20 0.47
▸ GAA P10253 3/20 0.47
▸ PGR P06401 4/20 0.46
▸ PKM P14618 2/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ CMA1 P23946 2/20 0.43
▸ EIF2AK2 P19525 1/20 0.42

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
SCHEMBL15170865 0.86 AHR (0.57) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL12336061 0.85 AHR (0.49) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL433708 0.76 AHR (0.61) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL1556955 0.74 GAA (0.60) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL23788017 0.72 AHR (0.61) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL5535534 0.72 AHR (0.61) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL2468488 0.72 AHR (0.61) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL1459491 0.72 TDP2 (0.62) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL12427789 0.72 AHR (0.61) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL19391 0.72 AHR (0.67) AHRGRIA1CACNG8PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9539239-B1 Compositions and methods for treatment of neurodegenerative disease UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-01-10 — — US disclosed
US-9539239-B1 Compositions and methods for treatment of neurodegenerative disease UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-01-10 — — US disclosed
US-20160367527-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-22 — — US disclosed
US-20160367527-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-22 — — US disclosed
US-9162981-B2 Compositions and methods for treatment of neurodegenerative disease THE JOHNS HOPKINS UNIVERSITY (US) 2015-10-20 — — US disclosed
US-20130217679-A1 Compositions and Methods for Treatment of Neurodegenerative Disease THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-22 — — US disclosed
US-20130217679-A1 Compositions and Methods for Treatment of Neurodegenerative Disease THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-22 — — US disclosed
WO-2011119777-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE THE JOHNS HOPKINS UNIVERSITY (US) 2011-09-29 — — WO disclosed
EP-0912557-B1 OXINDOLE DERIVATIVES ASTRAZENECA AB (SE) 2003-07-09 — — EP disclosed
US-6265411-B1 ANGIOGENESIS INHIBITOR ZENECA LIMITED (GB) 2001-07-24 — — US disclosed
EP-0912557-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1999-05-06 — — EP disclosed
WO-1997042187-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1997-11-13 — — 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 (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-20160367527-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE CLN6, PSEN2, CHAT AHR 3990/4885GRIA1 1274/4885CACNG8 2691/4885
US-20130217679-A1 Compositions and Methods for Treatment of Neurodegenerative Disease CLN6, PSEN2, CHAT AHR 3990/4885GRIA1 1274/4885CACNG8 2691/4885

“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.

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