SCHEMBL2111433

SCHEMBL2111433

Cc1c([N+](=O)[O-])ccc(OCC(=O)O)c1Br

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGDR2 Q9Y5Y4 5/20 0.45
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 2/20 0.40
PTGDR Q13258 1/20 0.40
GAA P10253 1/20 0.40
GBA1 P04062 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL17847080 0.79 ALDH1A1 (0.55) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL27658679 0.78 ALDH1A1 (0.46) MEN1KMT2ANPC1RAB9APKM
SCHEMBL9072461 0.77 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL5905874 0.77 ALDH1A1 (0.57) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4186418 0.77 MEN1 (0.64) MEN1KMT2ANPC1RAB9APKM
SCHEMBL23589263 0.77 PTGDR2 (0.54) MEN1KMT2ANPC1RAB9APKM
SCHEMBL7390982 0.77 KMT2A (0.44) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL15067676 0.76 SIGMAR1 (0.41) MEN1KMT2ANPC1RAB9ANFKB1
SCHEMBL27658680 0.75 CYP1A2 (0.41) MEN1KMT2ANPC1RAB9ANFKB1
SCHEMBL1753617 0.74 PTGDR2 (0.53) MEN1KMT2APTGDR2ALDH1A1PTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 EP disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US disclosed
EP-1611091-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-01-04 EP disclosed
WO-2004089885-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-21 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 (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-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 MEN1 3390/4885KMT2A 1676/4885NPC1 986/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 MEN1 3390/4885KMT2A 1676/4885NPC1 986/4885

“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.