SCHEMBL5362918

SCHEMBL5362918

Nc1nc(OCCCCOCc2ccccc2)c(F)cc1C=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGMT P16455 2/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
FAAH O00519 1/20 0.35
ERN1 O75460 1/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNA3 P22001 1/20 0.34
KCNA5 P22460 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CDC7 O00311 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5379070 0.81 AKR1B10 (0.39) CYP3A4
SCHEMBL5379068 0.81 AKR1B10 (0.39) CYP3A4
SCHEMBL5372244 0.80 ALDH1A1 (0.39) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL27656351 0.78 FAAH (0.39) FAAHTDP1L3MBTL1KCNA3KCNA5
SCHEMBL5363459 0.71 CNR1 (0.41) TDP1MAOB
SCHEMBL5366905 0.70 AR (0.36) L3MBTL1SMN1; SMN2
SCHEMBL5373252 0.70 MAOA (0.43) MAOAMAOB
SCHEMBL14700255 0.69 TDP1 (0.44) CDK1TDP1L3MBTL1MAOAMAOB
SCHEMBL16742764 0.69 MAOA (0.43) ERN1TDP1MAOAMAOB
SCHEMBL452893 0.68 ERN1 (0.41) ERN1KCNA3KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100422181-C [1,8] naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT CO (US) 2008-10-01 CN disclosed
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
CN-1839134-A [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT CO (US) 2006-09-27 CN 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 MGMT 4402/4885CDK1 818/4885CCNB1 420/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 MGMT 4402/4885CDK1 818/4885CCNB1 420/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 MGMT 4402/4885CDK1 818/4885CCNB1 420/4885

“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.