SCHEMBL3453537

SCHEMBL3453537

O=c1oc(Nc2ccccc2Oc2ccccc2)nc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C1R P00736 11/20 0.70
NPC1 O15118 5/20 0.64
RAB9A P51151 5/20 0.64
ALDH1A1 P00352 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MAPT P10636 1/20 0.64
HTT P42858 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
ELANE P08246 4/20 0.59
KDM4E B2RXH2 3/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL3453116 0.87 C1R (0.67) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3453188 0.84 ELANE (0.76) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3453912 0.83 ELANE (0.70) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7331952 0.82 C1R (1.00) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4259369 0.82 C1R (0.48) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4262925 0.82 ELANE (0.49) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4268147 0.80 C1R (0.47) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4264396 0.79 C1R (0.46) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4259213 0.79 C1R (0.46) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4263283 0.79 C1R (0.46) C1RNPC1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820662-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2010-10-26 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
WO-2000040569-A9 2-AMINO-BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF OBESITY ALIZYME THERAPEUTICS LTD (GB) 2002-02-28 WO claimed
EP-1143977-A1 2-OXY-BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF OBESITY Alizyme Therapeutics Limited (GB) 2001-10-17 EP claimed
WO-2000040247-A1 2-OXY-BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF OBESITY ALIZYME THERAPEUTICS LIMITED (GB) 2000-07-13 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 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.