SCHEMBL2433371

SCHEMBL2433371

COc1cnc(Cl)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.53
▸ KDM4E B2RXH2 6/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.43
▸ GRIN2D O15399 2/20 0.41
▸ GRIN3B O60391 2/20 0.41
▸ GRIN1 Q05586 2/20 0.41
▸ GRIN2A Q12879 2/20 0.41
▸ GRIN2B Q13224 2/20 0.41
▸ GRIN2C Q14957 2/20 0.41
▸ GRIN3A Q8TCU5 2/20 0.41
▸ PDE3B Q13370 2/20 0.40
▸ PDE3A Q14432 2/20 0.40
▸ MAPK1 P28482 2/20 0.35
▸ S1PR4 O95977 1/20 0.35

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
SCHEMBL26669557 0.78 RECQL (0.54) RECQLKDM4ESMN1; SMN2POLBHTT
SCHEMBL31685547 0.76 RECQL (0.53) RECQLKDM4ESMN1; SMN2POLBHTT
SCHEMBL6168942 0.76 RECQL (0.53) RECQLKDM4ESMN1; SMN2POLBHTT
SCHEMBL23222270 0.73 KDM4E (0.51) RECQLKDM4ESMN1; SMN2POLBHTT
SCHEMBL11900387 0.73 LMNA (0.59) RECQLKDM4ESMN1; SMN2POLBHTT
SCHEMBL18791425 0.72 — —
SCHEMBL20665627 0.72 RECQL (0.49) RECQLKDM4ESMN1; SMN2POLBHTT
SCHEMBL1442774 0.72 RECQL (0.49) RECQLKDM4ESMN1; SMN2POLBHTT
SCHEMBL10332862 0.72 RECQL (0.49) RECQLKDM4ESMN1; SMN2POLBHTT
SCHEMBL19002599 0.71 KDM4E (0.49) RECQLKDM4ESMN1; SMN2POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1911754-A1 Dipeptidyl peptidase inhibitors Takeda Pharmaceutical Company Limited (JP) 2008-04-16 — — EP claimed
US-20050065148-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 — — US claimed
WO-2005016911-A1 4-PYRIMIDONE DERIVATIVES AND THEIR USE AS PEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-24 — — WO claimed
EP-1506967-A1 Dipeptidyl peptidase inhibitors Syrrx, Inc. (US) 2005-02-16 — — EP claimed
EP-2542084-B1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME (US) 2017-12-20 — — EP disclosed
EP-2542084-B1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME (US) 2017-12-20 — — EP disclosed
WO-2017076349-A1 LONG-ACTING DIPEPTIDYL PEPTIDASE-IV INHIBITOR, APPLICATION THEREOF, AND PREPARATION METHOD THEREFOR 四川科伦博泰生物医药股份有限公司 2017-05-11 — — WO disclosed
US-9260413-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders MERCK SHARP & DOHME CORP. (US) 2016-02-16 — — US disclosed
US-9260413-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders MERCK SHARP & DOHME CORP. (US) 2016-02-16 — — US disclosed
US-9260413-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders MERCK SHARP & DOHME CORP. (US) 2016-02-16 — — US disclosed
US-8969364-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders MERCK SHARP & DOHME CORP. (US) 2015-03-03 — — US disclosed
US-8969364-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders MERCK SHARP & DOHME CORP. (US) 2015-03-03 — — US disclosed
US-20050070535-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-31 — — US disclosed
US-20050070531-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-31 — — US disclosed
US-20050070530-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-31 — — US disclosed
US-20050070706-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-31 — — US disclosed
US-20050065148-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 — — US disclosed
WO-2005016911-A1 4-PYRIMIDONE DERIVATIVES AND THEIR USE AS PEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-24 — — WO disclosed
WO-2005016911-A1 4-PYRIMIDONE DERIVATIVES AND THEIR USE AS PEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-24 — — WO disclosed
EP-1506967-A1 Dipeptidyl peptidase inhibitors Syrrx, Inc. (US) 2005-02-16 — — EP 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-20050070535-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 RECQL 2655/4885KDM4E 1753/4885SMN1; SMN2 3716/4885
US-20050070531-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 RECQL 2655/4885KDM4E 1753/4885SMN1; SMN2 3716/4885
US-20050065148-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 RECQL 2655/4885KDM4E 1753/4885SMN1; SMN2 3716/4885
US-20050070706-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 RECQL 2655/4885KDM4E 1753/4885SMN1; SMN2 3716/4885
US-20050070530-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 RECQL 2655/4885KDM4E 1753/4885SMN1; SMN2 3716/4885

“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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