SCHEMBL3452889

SCHEMBL3452889

O=c1oc(Nc2ccc(Oc3ccccc3)cc2)nc2cc(C(F)(F)F)ccc12

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C1R P00736 11/20 0.65
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
ELANE P08246 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.48
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
PDGFRB P09619 1/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TTBK1 Q5TCY1 2/20 0.45
TTBK2 Q6IQ55 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3453097 0.90 C1R (0.71) C1RNPC1RAB9AKDM4EALDH1A1
SCHEMBL6229437 0.84 ELANE (0.63) C1RNPC1RAB9AKDM4EALDH1A1
SCHEMBL3453188 0.84 ELANE (0.76) C1RNPC1RAB9AKDM4EALDH1A1
SCHEMBL3452122 0.83 C1R (0.63) C1RNPC1RAB9AKDM4EALDH1A1
SCHEMBL3452527 0.82 ELANE (0.74) C1RNPC1RAB9AKDM4EALDH1A1
SCHEMBL7329344 0.79 C1R (1.00) C1RNPC1RAB9AALDH1A1F7
SCHEMBL4260420 0.77 NPC1 (0.45) C1RNPC1RAB9AKDM4EALDH1A1
SCHEMBL3452438 0.77 C1R (0.55) C1RNPC1RAB9AKDM4EALDH1A1
SCHEMBL3452111 0.77 NPC1 (0.71) C1RNPC1RAB9AKDM4EALDH1A1
SCHEMBL4260629 0.76 TTBK1 (0.48) C1RNPC1RAB9AKDM4EALDH1A1

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 11 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
US-20030191123-A1 2-amino-benzoxazinone derivatives for the treatment of obesity NORGINE B.V. (NL) 2003-10-09 US disclosed
US-20030013707-A1 2-amino-benzoxazinone derivatives for the treatment of obesity NORGINE B.V. (NL) 2003-01-16 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 3778/4885NPC1 2324/4885RAB9A 3075/4885
US-20030013707-A1 2-amino-benzoxazinone derivatives for the treatment of obesity CYP4X1, CYP2B6, BBOX1 C1R 3778/4885NPC1 2324/4885RAB9A 3075/4885

“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.