SCHEMBL3453240

SCHEMBL3453240

O=c1oc(Nc2ccccc2)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.62
C1R P00736 2/20 0.60
ABCG2 Q9UNQ0 2/20 0.56
EGFR P00533 2/20 0.55
KDM4E B2RXH2 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
RIPK1 Q13546 1/20 0.52
POLB P06746 2/20 0.52
ACHE P22303 1/20 0.52
APEX1 P27695 1/20 0.50
GSK3B P49841 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL3452649 0.79 ELANE (0.68) ELANEC1RKDM4ENPC1RAB9A
SCHEMBL3453029 0.79 NPC1 (0.71) ELANEC1RKDM4ENPC1RAB9A
SCHEMBL3453309 0.79 ELANE (0.68) ELANEC1RKDM4ENPC1RAB9A
SCHEMBL3452604 0.77 ELANE (1.00) ELANEC1RKDM4ENPC1RAB9A
SCHEMBL3453106 0.76 ELANE (0.65) ELANEC1RKDM4ENPC1RAB9A
SCHEMBL3453469 0.76 ELANE (0.68) ELANEC1RKDM4ENPC1RAB9A
SCHEMBL11818974 0.76 NPC1 (0.53) C1RKDM4ENPC1RAB9AALDH1A1
SCHEMBL13224725 0.75 ELANE (0.63) ELANEC1RKDM4ENPC1RAB9A
SCHEMBL13224723 0.75 ELANE (0.63) ELANEC1RKDM4ENPC1RAB9A
SCHEMBL3453528 0.75 ELANE (0.63) ELANEC1RKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144395-B1 2-AMINO-BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF OBESITY ALIZYME THERAPEUTICS LTD (GB) 2005-04-20 EP claimed
US-6656934-B2 Enzyme inhibitor ALIZYME THERAPEUTICS LIMITED (GB) 2003-12-02 US claimed
US-20030191123-A1 2-amino-benzoxazinone derivatives for the treatment of obesity NORGINE B.V. (NL) 2003-10-09 US claimed
US-20030013707-A1 2-amino-benzoxazinone derivatives for the treatment of obesity NORGINE B.V. (NL) 2003-01-16 US claimed
WO-2000040569-A9 2-AMINO-BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF OBESITY ALIZYME THERAPEUTICS LTD (GB) 2002-02-28 WO claimed
US-7776853-B2 2-amino-benzoxazinone derivatives for the treatment of obesity NORGINE B.V. (NL) 2010-08-17 US disclosed
US-7776853-B2 2-amino-benzoxazinone derivatives for the treatment of obesity NORGINE B.V. (NL) 2010-08-17 US disclosed
US-7776853-B2 2-amino-benzoxazinone derivatives for the treatment of obesity NORGINE B.V. (NL) 2010-08-17 US disclosed
US-6656934-B2 Enzyme inhibitor ALIZYME THERAPEUTICS LIMITED (GB) 2003-12-02 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 (2 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-20030191123-A1 2-amino-benzoxazinone derivatives for the treatment of obesity CYP4X1, CYP2B6, BBOX1 ELANE 730/4885C1R 3778/4885ABCG2 493/4885
US-20030013707-A1 2-amino-benzoxazinone derivatives for the treatment of obesity CYP4X1, CYP2B6, BBOX1 ELANE 730/4885C1R 3778/4885ABCG2 493/4885

“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.