SCHEMBL8250813

SCHEMBL8250813

CC(C)(C)OC(=O)[C@H](Cc1ccc(Nc2ncccc2[N+](=O)[O-])cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
NPC1 O15118 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
CTSL P07711 3/20 0.45
CTSB P07858 3/20 0.45
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
NPR3 P17342 1/20 0.44
CYP2C19 P33261 1/20 0.44
ITGA4 P13612 2/20 0.43
ITGB7 P26010 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL12193561 1.00 MAPT (0.49) MAPTNPC1NFKB1MAPK1RAB9A
SCHEMBL12341874 0.87 MAPT (0.55) MAPTNPC1NFKB1MAPK1RAB9A
SCHEMBL8250592 0.86 ITGB3 (0.47) MAPTCTSLCTSBITGB3ITGA2B
SCHEMBL12193562 0.86 ITGB3 (0.47) MAPTCTSLCTSBITGB3ITGA2B
SCHEMBL4734738 0.85 MAPT (0.59) MAPTNPC1NFKB1MAPK1RAB9A
SCHEMBL12317090 0.82 MAPT (0.58) MAPTNPC1NFKB1MAPK1RAB9A
SCHEMBL12193511 0.81 ITGA4 (0.60) CTSLCTSBITGB3ITGA2BITGA4
SCHEMBL9219338 0.79 CTSK (0.62) MAPTCTSLCTSBITGB3ITGA2B
SCHEMBL19485480 0.79 CTSK (0.62) MAPTCTSLCTSBITGB3ITGA2B
SCHEMBL4733947 0.78 MAPT (0.52) MAPTNPC1NFKB1MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268935-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8030328-B2 Imidazolone phenylalanine derivatives ELAN PHARMACEUTICALS, INC. (US) 2011-10-04 US disclosed
US-20070037804-A1 Imidazolone phenylalanine derivatives TBD 2007-02-15 US disclosed
US-20070021555-A1 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. 2007-01-25 US disclosed
WO-2006127584-A1 IMIDAZOLONE PHENYLALANINE DERIVATIVES AS VLA-4 ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2006-11-30 WO 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 (1 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-20070037804-A1 Imidazolone phenylalanine derivatives VCAM1, ICAM1, IL4I1 MAPT 1347/4885NPC1 3671/4885NFKB1 1332/4885

“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.