SCHEMBL5367134

SCHEMBL5367134

CC(C)(C)OC(=O)Nc1cccc2c(Br)cccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.50
AAK1 Q2M2I8 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 1/20 0.45
EPHX1 P07099 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 2/20 0.41
AHR P35869 1/20 0.41
LMNA P02545 1/20 0.41
METAP1 P53582 1/20 0.41
GAA P10253 1/20 0.40
BRD9 Q9H8M2 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39

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
SCHEMBL593484 0.91 RXFP1 (0.62) RXFP1AAK1MEN1KMT2ANPC1
SCHEMBL632629 0.84 PDK1 (0.54) RXFP1MEN1KMT2ANPC1RAB9A
SCHEMBL30976363 0.84 PDK1 (0.54) RXFP1MEN1KMT2ANPC1RAB9A
SCHEMBL14243354 0.83 NPC1 (0.46) RXFP1AAK1MEN1KMT2ANPC1
SCHEMBL30341113 0.83 MEN1 (0.46) RXFP1MEN1KMT2ANPC1RAB9A
SCHEMBL6241238 0.83 TRPV1 (0.50) RXFP1MEN1KMT2AALDH1A1HPGD
SCHEMBL23624071 0.82 MEN1 (0.45) RXFP1MEN1KMT2ANPC1RAB9A
SCHEMBL31605689 0.82 MEN1 (0.45) RXFP1MEN1KMT2ANPC1RAB9A
SCHEMBL29909461 0.82 RXFP1 (0.46) RXFP1AAK1MEN1KMT2ANPC1
SCHEMBL575004 0.82 RXFP1 (0.46) RXFP1AAK1MEN1KMT2ANPC1

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 RXFP1 1560/4885AAK1 1729/4885MEN1 3394/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 RXFP1 1560/4885AAK1 1729/4885MEN1 3394/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 RXFP1 1560/4885AAK1 1729/4885MEN1 3394/4885

“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.