SCHEMBL5366980

SCHEMBL5366980

CC(C(=O)OC(C)(C)C)C(C)(O)c1ccc(Cl)nc1NC(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NPR3 P17342 2/20 0.35
▸ ATR Q13535 1/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ ATM Q13315 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL5383471 0.78 LMNA (0.40) KMT2ALMNANPR3ATRMEN1
SCHEMBL5366517 0.78 KMT2A (0.33) KMT2ALMNAATRMEN1L3MBTL1
SCHEMBL31038666 0.78 KMT2A (0.33) KMT2ALMNAATRMEN1L3MBTL1
SCHEMBL25315958 0.73 L3MBTL1 (0.37) KMT2ALMNAMEN1L3MBTL1MAPT
SCHEMBL1661669 0.71 KMT2A (0.47) KMT2ALMNAMEN1L3MBTL1MAPT
SCHEMBL5375594 0.70 KMT2A (0.34) KMT2ALMNAATRMEN1L3MBTL1
SCHEMBL267725 0.70 L3MBTL1 (0.44) KMT2ALMNAMEN1L3MBTL1MAPT
SCHEMBL30884722 0.69 PARP2 (0.45) KMT2ALMNAMEN1L3MBTL1MAPT
SCHEMBL1047479 0.69 L3MBTL1 (0.43) KMT2ALMNAMEN1L3MBTL1MAPT
SCHEMBL3326127 0.69 L3MBTL1 (0.43) KMT2ALMNAMEN1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160888-B2 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT COMPANY LLC (US) 2007-01-09 — — US disclosed
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 — — US disclosed
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 — — US disclosed
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 — — EP disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 — — WO disclosed
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2005-02-24 — — 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 (3 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-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 KMT2A 1551/4885LMNA 1784/4885NPR3 2186/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 KMT2A 1551/4885LMNA 1784/4885NPR3 2186/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 KMT2A 1551/4885LMNA 1784/4885NPR3 2186/4885

“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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