SCHEMBL5599548

SCHEMBL5599548

CC(=O)N1CCc2cc([N+](=O)[O-])ccc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.56
BAZ2B Q9UIF8 1/20 0.56
HPGD P15428 3/20 0.54
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 2/20 0.51
DPP7 Q9UHL4 1/20 0.51
LCK P06239 1/20 0.49
RET P07949 1/20 0.49
PDGFRA P16234 1/20 0.49
KDR P35968 1/20 0.49
AKR1C3 P42330 1/20 0.49
ALDH1A1 P00352 3/20 0.49
FAAH O00519 1/20 0.48
MGLL Q99685 1/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL3895337 0.94 NOTUM (0.56) NOTUMBAZ2BHPGDMEN1KMT2A
SCHEMBL30561538 0.94 NOTUM (0.56) NOTUMBAZ2BHPGDMEN1KMT2A
SCHEMBL2310023 0.91 ALDH1A1 (0.55) NOTUMBAZ2BHPGDMEN1KMT2A
SCHEMBL14590719 0.88 DPP7 (0.59) NOTUMBAZ2BHPGDMEN1KMT2A
SCHEMBL6499027 0.83 ESR2 (0.69) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL396861 0.81 HPGD (0.56) BAZ2BHPGDMEN1KMT2ARAB9A
SCHEMBL30875692 0.81 HPGD (0.56) BAZ2BHPGDMEN1KMT2ARAB9A
SCHEMBL17797648 0.81 HPGD (0.51) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL22145710 0.80 DPP7 (0.54) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL20232216 0.79 MAOA (0.50) HPGDMEN1KMT2ARAB9ANPC1

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
US-7582616-B2 Nucleoside transport inhibitors QUESREMA ENTERPRISES LLC (US) 2009-09-01 US disclosed
US-20070293444-A1 Novel Nucleoside Transport Inhibitors BUOLAMWINI JOHN K 2007-12-20 US disclosed
WO-2007011290-A1 Bronchorelaxing agents based on indol- and isoquinoline derivatives RESPIRATORIUS AB (SE) 2007-01-25 WO disclosed
EP-1708999-A1 BRONCHORELAXING COMPOUNDS RESPIRATORIUS AB (SE) 2006-10-11 EP disclosed
US-20060040919-A1 Bronchorelaxing compounds RESPIRATORIUS AB (SE) 2006-02-23 US disclosed
WO-2005070887-A1 BRONCHORELAXING COMPOUNDS RESPIRATORIUS AB (SE) 2005-08-04 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-20060040919-A1 Bronchorelaxing compounds CHRM3, GPR3, CHRM2 NOTUM 3316/4885BAZ2B 2791/4885HPGD 1383/4885
US-20070293444-A1 Novel Nucleoside Transport Inhibitors SLC29A1, SLC29A2, SLC28A1 NOTUM 4604/4885BAZ2B 3988/4885HPGD 1424/4885

“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.