SCHEMBL16044593

SCHEMBL16044593

O=C1C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 1.00
▸ ALDH2 P05091 7/20 1.00
▸ ALDH3A1 P30838 7/20 1.00
▸ PARK7 Q99497 6/20 0.71
▸ CA12 O43570 1/20 0.66
▸ CA1 P00915 1/20 0.66
▸ CA2 P00918 1/20 0.66
▸ CA9 Q16790 1/20 0.66
▸ CASP3 P42574 1/20 0.57
▸ PKM P14618 1/20 0.57

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
SCHEMBL16798714 0.87 ALDH3A1 (1.00) ALDH1A1ALDH2ALDH3A1CA12CA1
SCHEMBL16799029 0.83 ALDH1A1 (1.00) ALDH1A1ALDH2ALDH3A1PARK7CA12
SCHEMBL16048068 0.83 ALDH1A1 (0.71) ALDH1A1ALDH2ALDH3A1PARK7CA12
SCHEMBL4597126 0.82 ALDH1A1 (0.77) ALDH1A1ALDH2ALDH3A1PARK7CASP3
SCHEMBL9384529 0.82 DRD2 (0.74) ALDH1A1ALDH2ALDH3A1
SCHEMBL16112176 0.82 ALDH3A1 (0.71) ALDH1A1ALDH2ALDH3A1PARK7CASP3
SCHEMBL16799085 0.82 ALDH1A1 (1.00) ALDH1A1ALDH2ALDH3A1PARK7CA12
Hydrochloric Acid SCHEMBL9096836 0.81 DRD2 (0.72) ALDH1A1ALDH2ALDH3A1
SCHEMBL28533366 0.80 ALDH3A1 (0.67) ALDH1A1ALDH2ALDH3A1
SCHEMBL16048101 0.79 ALDH3A1 (0.65) ALDH1A1ALDH2ALDH3A1PARK7CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920029-B2 Isatin compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2018-03-20 — — US disclosed
US-9920029-B2 Isatin compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2018-03-20 — — US disclosed
US-9920029-B2 Isatin compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2018-03-20 — — US disclosed
EP-2970183-A2 ISATIN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS Musc Foundation for Research Development (US) 2016-01-20 — — EP disclosed
US-20150218128-A1 Isatin Compounds, Compositions And Methods For Treatment Of Degenerative Diseases And Disorders MUSC Foundation for Research Development (10 pp.) 2015-08-06 — — US disclosed
US-20150218128-A1 Isatin Compounds, Compositions And Methods For Treatment Of Degenerative Diseases And Disorders MUSC Foundation for Research Development (10 pp.) 2015-08-06 — — US disclosed
US-20150218128-A1 Isatin Compounds, Compositions And Methods For Treatment Of Degenerative Diseases And Disorders MUSC Foundation for Research Development (10 pp.) 2015-08-06 — — US disclosed
US-9079853-B2 Isatin compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2015-07-14 — — US disclosed
US-9079853-B2 Isatin compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2015-07-14 — — US disclosed
US-9079853-B2 Isatin compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2015-07-14 — — US disclosed
WO-2015084731-A1 ALDEHYDE DEHYDROGENASE INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-06-11 — — WO disclosed
WO-2014160143-A2 ISATIN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2014-10-02 — — WO disclosed
US-20140275075-A1 ISATIN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2014-09-18 — — US disclosed
US-20140275075-A1 ISATIN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2014-09-18 — — US disclosed
US-20140275075-A1 ISATIN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2014-09-18 — — 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 (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-20150218128-A1 Isatin Compounds, Compositions And Methods For Treatment Of Degenerative Diseases And Disorders CLN6, AREG, HASPIN ALDH1A1 751/4885ALDH2 522/4885ALDH3A1 1316/4885
US-20140275075-A1 ISATIN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS CLN6, AREG, HASPIN ALDH1A1 751/4885ALDH2 522/4885ALDH3A1 1316/4885

“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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