SCHEMBL5363442

SCHEMBL5363442

C=CCOc1cccc([N+](=O)[O-])c1C=C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
RECQL P46063 2/20 0.46
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 6/20 0.40
LMNA P02545 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LIG1 P18858 1/20 0.39
HTT P42858 2/20 0.39
SLC22A1 O15245 1/20 0.38
CYP1A2 P05177 1/20 0.38
ADRB2 P07550 1/20 0.38

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
SCHEMBL430707 0.84 RAB9A (0.66) RAB9ANPC1RECQLPOLBKDM4E
SCHEMBL11213049 0.83 RAB9A (0.47) RAB9ANPC1RECQLPOLBKDM4E
SCHEMBL11849505 0.82 L3MBTL1 (0.49) RAB9ANPC1RECQLKMT2AMEN1
SCHEMBL12006023 0.82 RAB9A (0.46) RAB9ANPC1RECQLPOLBKDM4E
SCHEMBL11226908 0.82 TDP1 (0.53) RAB9ANPC1RECQLPOLBKDM4E
SCHEMBL9671707 0.82 RAB9A (0.46) RAB9ANPC1RECQLPOLBKDM4E
SCHEMBL7670876 0.81 RAB9A (0.51) RAB9ANPC1RECQLPOLBKDM4E
SCHEMBL15676281 0.80 HPGD (0.49) KDM4EMAPK1MAPTALDH1A1LMNA
SCHEMBL19457046 0.80 ALDH1A1 (0.61) RAB9ANPC1RECQLKDM4EKMT2A
SCHEMBL11231304 0.79 RAB9A (0.45) RAB9ANPC1RECQLPOLBKDM4E

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 RAB9A 276/4885NPC1 1164/4885RECQL 137/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 RAB9A 276/4885NPC1 1164/4885RECQL 137/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 RAB9A 276/4885NPC1 1164/4885RECQL 137/4885

“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.