SCHEMBL3453097

SCHEMBL3453097

O=c1oc(Nc2ccccc2)nc2cc(C(F)(F)F)ccc12

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C1R P00736 13/20 0.71
ELANE P08246 2/20 0.66
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
F7 P08709 1/20 0.54
F3 P13726 1/20 0.54
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GSK3B P49841 1/20 0.46

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
SCHEMBL6229437 0.91 ELANE (0.63) C1RELANENPC1RAB9AKDM4E
SCHEMBL3452889 0.90 C1R (0.65) C1RELANENPC1RAB9AKDM4E
SCHEMBL3452527 0.87 ELANE (0.74) C1RELANENPC1RAB9AKDM4E
SCHEMBL3452111 0.86 NPC1 (0.71) C1RELANENPC1RAB9AKDM4E
SCHEMBL7329344 0.83 C1R (1.00) C1RNPC1RAB9AALDH1A1F7
SCHEMBL3452308 0.83 NPC1 (0.75) C1RELANENPC1RAB9AKDM4E
SCHEMBL8897404 0.81 C1R (1.00) C1RELANENPC1RAB9AKDM4E
SCHEMBL3452604 0.80 ELANE (1.00) C1RELANENPC1RAB9AKDM4E
SCHEMBL3453634 0.80 ELANE (0.71) C1RELANENPC1RAB9AKDM4E
SCHEMBL3453269 0.80 ELANE (0.71) C1RELANENPC1RAB9AKDM4E

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 8 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
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 C1R 3778/4885ELANE 730/4885NPC1 2324/4885
US-20030013707-A1 2-amino-benzoxazinone derivatives for the treatment of obesity CYP4X1, CYP2B6, BBOX1 C1R 3778/4885ELANE 730/4885NPC1 2324/4885

“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.