SCHEMBL5369475

SCHEMBL5369475

CCOC(=O)C=Cc1c(C(F)(F)F)cc(OCCCCOCc2ccccc2)nc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
PTGS2 P35354 1/20 0.35
BTK Q06187 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
AKR1B10 O60218 2/20 0.34
AKR1B1 P15121 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
DPP4 P27487 1/20 0.34
MAOA P21397 1/20 0.34
TTR P02766 1/20 0.33
CNKSR1 Q969H4 1/20 0.33
ALOX5 P09917 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
SCHEMBL5369472 1.00 ALDH1A1 (0.42) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL5366905 0.82 AR (0.36) MAPTNPC1RAB9A
SCHEMBL5379068 0.76 AKR1B10 (0.39) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL5379070 0.76 AKR1B10 (0.39) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL5369427 0.72 PIM1 (0.38) ALDH1A1KDM4EHPGD
SCHEMBL247864 0.70 AKR1B10 (0.36) MAPTNPC1RAB9ALMNAAKR1B10
SCHEMBL5691253 0.68 MAPT (0.63) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL5691251 0.68 MAPT (0.63) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL5990048 0.68 MEN1 (0.51) ALDH1A1LMNAALOX5
SCHEMBL5990046 0.68 MEN1 (0.51) ALDH1A1LMNAALOX5

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 ALDH1A1 1148/4885MAPT 2222/4885NPC1 1164/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 ALDH1A1 1148/4885MAPT 2222/4885NPC1 1164/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 ALDH1A1 1148/4885MAPT 2222/4885NPC1 1164/4885

“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.