SCHEMBL213412

SCHEMBL213412

Nc1ccc(OC2CCN(C(=O)O)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 5/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 5/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 2/20 0.39
RECQL P46063 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL6342736 0.85 ALDH1A1 (0.47) ALDH1A1CYP3A4SMN1; SMN2RAB9ANPC1
SCHEMBL215338 0.84 GPR119 (0.54) LMNAALDH1A1MAPT
SCHEMBL22236053 0.84 ALDH1A1 (0.46) LMNATDP1ALDH1A1CYP3A4ALOX15
SCHEMBL216274 0.83 SRD5A1 (0.43) SRD5A1SRD5A2
SCHEMBL217293 0.83 HRH1 (0.46)
SCHEMBL216796 0.83 NPC1 (0.52) LMNAALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL12485845 0.83 GPR119 (0.43) TDP1ALDH1A1MAPTSRD5A1SRD5A2
SCHEMBL215401 0.82 SIGMAR1 (0.48) LMNAALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL6136613 0.82 CYP1A2 (0.50) TDP1ALDH1A1MAPTPOLBMEN1
SCHEMBL30043078 0.81 ALDH1A1 (0.46) LMNATDP1ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 LMNA 4821/4885TDP1 3233/4885ALDH1A1 4295/4885

“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.