SCHEMBL5366367

SCHEMBL5366367

C#CC(C)(C)Oc1ccccc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.37
▸ LMNA P02545 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ PYCR1 P32322 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HTR1A P08908 1/20 0.30
▸ ADRA2A P08913 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 1/20 0.30
▸ ELANE P08246 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 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
SCHEMBL15201572 0.81 HTR7 (0.41) HTR7LMNAALDH1A1L3MBTL1NPC1
SCHEMBL30620480 0.78 TSHR (0.38) ALDH1A1NPC1CYP1A2MAPTRAB9A
SCHEMBL4187983 0.77 HTR7 (0.42) HTR7LMNAALDH1A1L3MBTL1NPC1
SCHEMBL31119916 0.77 HTR7 (0.42) HTR7LMNAALDH1A1L3MBTL1NPC1
SCHEMBL4234831 0.73 ALDH1A1 (0.47) LMNAALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL11350300 0.72 TDP1 (0.39) ALDH1A1L3MBTL1MAPTHPGDELANE
SCHEMBL18405594 0.71 CA4 (0.39) ALDH1A1L3MBTL1CYP1A2MAPTCYP2C19
SCHEMBL21955375 0.71 NOTUM (0.49) LMNAALDH1A1L3MBTL1NPC1MAPT
SCHEMBL9534370 0.69 HTR6 (0.58) —
Toluene SCHEMBL27745468 0.69 LMNA (0.42) HTR7LMNAALDH1A1L3MBTL1NPC1

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 HTR7 426/4885LMNA 1784/4885ALDH1A1 1148/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 HTR7 426/4885LMNA 1784/4885ALDH1A1 1148/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 HTR7 426/4885LMNA 1784/4885ALDH1A1 1148/4885

“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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