SCHEMBL409537

SCHEMBL409537

CC(C)Oc1cccc2c1C(=O)N(CCC(=O)O)C2=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 9/20 0.53
▸ PKM P14618 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 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
SCHEMBL411064 0.84 PKM (0.50) PDE10APKMSMN1; SMN2L3MBTL1CA1
SCHEMBL3790518 0.76 KMT2A (0.52) PDE10APKMSMN1; SMN2CA9MEN1
SCHEMBL4306010 0.76 MEN1 (0.52) PKMSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL135305 0.74 CA12 (0.66) PKMSMN1; SMN2CA9MEN1KMT2A
SCHEMBL30098360 0.74 CA12 (0.66) PKMSMN1; SMN2CA9MEN1KMT2A
SCHEMBL14876148 0.71 TDP1 (0.64) PDE10ASMN1; SMN2TDP1CA1CA2
SCHEMBL4235928 0.71 ALDH1A1 (0.60) TDP1L3MBTL1CA1CA2CA9
SCHEMBL4582152 0.70 MEN1 (0.82) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL25359709 0.69 MEN1 (0.65) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6564387 0.69 RAB9A (0.67) SMN1; SMN2TDP1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435048-B1 RADIOLABELED PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2019-07-03 — — EP disclosed
EP-2435048-B1 RADIOLABELED PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2019-07-03 — — EP disclosed
US-8846000-B2 Radiolabeled PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-30 — — US disclosed
US-8846000-B2 Radiolabeled PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-30 — — US disclosed
US-8846000-B2 Radiolabeled PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-30 — — US disclosed
EP-2632461-A1 ISOINDOLINONE PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-09-04 — — EP disclosed
US-20130203756-A1 ISOINDOLINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2013-08-08 — — US disclosed
US-20130203756-A1 ISOINDOLINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2013-08-08 — — US disclosed
US-20130203756-A1 ISOINDOLINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2013-08-08 — — US disclosed
WO-2012058133-A1 ISOINDOLINONE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-05-03 — — WO disclosed
US-20120064005-A1 RADIOLABELED PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2012-03-15 — — US disclosed
US-20120064005-A1 RADIOLABELED PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2012-03-15 — — US disclosed
US-20120064005-A1 RADIOLABELED PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2012-03-15 — — US disclosed
WO-2010138585-A1 PYRIMIDINONES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-12-02 — — WO disclosed
WO-2010138585-A1 PYRIMIDINONES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-12-02 — — WO disclosed
WO-2010138577-A1 RADIOLABELED PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-12-02 — — 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-20120064005-A1 RADIOLABELED PDE10 INHIBITORS PDE5A, PDE3A, PDE10A PDE10A 3/4885PKM 648/4885SMN1; SMN2 2515/4885
US-20130203756-A1 ISOINDOLINE PDE10 INHIBITORS PDE12, PDE10A, PDE4A PDE10A 2/4885PKM 1760/4885SMN1; SMN2 2034/4885

“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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