SCHEMBL3453029

SCHEMBL3453029

O=c1oc(Nc2ccccc2)nc2ccc(Cl)cc12

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.71
RAB9A P51151 6/20 0.71
KDM4E B2RXH2 4/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
C1R P00736 11/20 0.70
ELANE P08246 2/20 0.68
ALDH1A1 P00352 4/20 0.57
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL3452177 0.84 ELANE (0.80) NPC1RAB9AKDM4ESMN1; SMN2C1R
SCHEMBL3452649 0.83 ELANE (0.68) NPC1RAB9AKDM4ESMN1; SMN2C1R
SCHEMBL3453309 0.83 ELANE (0.68) NPC1RAB9AKDM4ESMN1; SMN2C1R
SCHEMBL6395012 0.83 C1R (1.00) NPC1RAB9AKDM4ESMN1; SMN2C1R
SCHEMBL3452604 0.82 ELANE (1.00) NPC1RAB9AKDM4ESMN1; SMN2C1R
SCHEMBL3453106 0.81 ELANE (0.65) NPC1RAB9AKDM4ESMN1; SMN2C1R
SCHEMBL3453469 0.80 ELANE (0.68) NPC1RAB9AKDM4ESMN1; SMN2C1R
SCHEMBL6229437 0.80 ELANE (0.63) NPC1RAB9AKDM4ESMN1; SMN2C1R
SCHEMBL13224723 0.80 ELANE (0.63) NPC1RAB9AKDM4ESMN1; SMN2C1R
SCHEMBL3453528 0.80 ELANE (0.63) NPC1RAB9AKDM4ESMN1; SMN2C1R

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
US-7776853-B2 2-amino-benzoxazinone derivatives for the treatment of obesity NORGINE B.V. (NL) 2010-08-17 US claimed
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
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 NPC1 2324/4885RAB9A 3075/4885KDM4E 556/4885
US-20030013707-A1 2-amino-benzoxazinone derivatives for the treatment of obesity CYP4X1, CYP2B6, BBOX1 NPC1 2324/4885RAB9A 3075/4885KDM4E 556/4885

“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.