SCHEMBL4024618

SCHEMBL4024618

Cc1oc(-c2cccnc2)nc1C(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
IKBKB O14920 1/20 0.47
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
F2 P00734 1/20 0.45
ELANE P08246 1/20 0.44
KDM4E B2RXH2 9/20 0.44
NPC1 O15118 6/20 0.44
ALDH1A1 P00352 5/20 0.44
RAB9A P51151 5/20 0.44
HSD17B10 Q99714 4/20 0.44
TP53 P04637 3/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 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
SCHEMBL10480750 0.80 KDM4E (0.48) PPARGPPARAKDM4EALDH1A1RAB9A
SCHEMBL1980752 0.79 TARBP2 (0.49) IKBKBKDM4ENPC1ALDH1A1RAB9A
SCHEMBL20022402 0.78 IKBKB (0.58) IKBKBF2ELANEKDM4ENPC1
SCHEMBL4030129 0.75 KDM4E (0.74) IKBKBPPARGPPARAF2ELANE
SCHEMBL2433464 0.74 KDM4E (0.60) AKR1C3AKR1C2F2KDM4ENPC1
SCHEMBL1803772 0.74 ALDH1A1 (0.55) IKBKBF2ELANEKDM4ENPC1
SCHEMBL2112745 0.73 IKBKB (0.56) IKBKBF2ELANEKDM4ENPC1
SCHEMBL13721722 0.73 TARBP2 (0.50) PPARGPPARAKDM4EALDH1A1RAB9A
SCHEMBL8573767 0.73 GAA (0.51) PPARGPPARAKDM4ENPC1ALDH1A1
Lithium Ion SCHEMBL5832915 0.73 KDM4E (0.71) IKBKBPPARGPPARAF2ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560548-B2 Morpholin-acetamide derivatives for the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-07-14 US disclosed
US-20060079525-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases ANCLIFF RACHAEL A 2006-04-13 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 (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-20060079525-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases ARG1, ARG2, NFKBIA AKR1C3 157/4885AKR1C2 313/4885IKBKB 278/4885

“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.