SCHEMBL5780210

SCHEMBL5780210

NC(=O)c1cc(CN2CCOCC2)on1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.58
▸ THRB P10828 2/20 0.55
▸ MAPT P10636 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ MME P08473 1/20 0.45
▸ GRM2 Q14416 1/20 0.43

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
SCHEMBL5786694 0.88 LMNA (0.58) LMNATHRBMAPTHRH3KDM4E
SCHEMBL1810038 0.86 LMNA (0.60) LMNATHRBMAPTTP53HDAC3
Hydrochloric Acid SCHEMBL1808720 0.85 LMNA (0.58) LMNATHRBMAPTTP53HDAC3
SCHEMBL5784891 0.82 LMNA (0.44) LMNATHRBALDH1A1GRM2KDM4E
SCHEMBL3823428 0.81 LMNA (0.61) LMNATHRBMAPTTP53HDAC3
SCHEMBL1808799 0.79 TP53 (0.66) LMNATHRBMAPTTP53ALDH1A1
SCHEMBL5785743 0.78 LMNA (0.46) LMNATHRBALDH1A1
SCHEMBL5780214 0.78 HRH3 (0.50) LMNATHRBMAPTTP53HDAC3
SCHEMBL10928806 0.77 THRB (0.56) LMNATHRBMAPTTP53HDAC3
SCHEMBL10924892 0.77 LMNA (0.51) LMNATHRBMAPTTP53HDAC3

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
EP-1636220-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-03-22 — — EP claimed
WO-2004099200-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-11-18 — — WO claimed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 — — US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 — — US disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO disclosed
EP-1636220-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-03-22 — — EP disclosed
WO-2004099200-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-11-18 — — 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK LMNA 3015/4885THRB 386/4885MAPT 470/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK LMNA 3243/4885THRB 511/4885MAPT 501/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK LMNA 3015/4885THRB 386/4885MAPT 470/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LMNA 3115/4885THRB 363/4885MAPT 438/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LMNA 3115/4885THRB 363/4885MAPT 438/4885

“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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