SCHEMBL4495805

SCHEMBL4495805

O=C1OCCC1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HSPB1 P04792 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
NAMPT P43490 1/20 0.38
HTT P42858 2/20 0.37
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8228579 0.81 POLB (0.52) POLBTDP1ALDH1A1SMN1; SMN2
SCHEMBL8223026 0.81 POLB (0.52) POLBTDP1ALDH1A1SMN1; SMN2
SCHEMBL13360003 0.81 POLB (0.52) POLBTDP1ALDH1A1SMN1; SMN2
SCHEMBL10174373 0.78 SMN1; SMN2 (0.43) POLBALDH1A1SMN1; SMN2
SCHEMBL694533 0.78 POLB (0.41) POLBTDP1ALDH1A1SMN1; SMN2
SCHEMBL13131163 0.78 POLB (0.38) POLBTDP1ALDH1A1SMN1; SMN2
SCHEMBL877644 0.78 KDM4E (0.41) POLBALDH1A1SMN1; SMN2
SCHEMBL4503380 0.78 POLB (0.41) POLBTDP1ALDH1A1SMN1; SMN2
SCHEMBL4493171 0.78 POLB (0.38) POLBTDP1ALDH1A1SMN1; SMN2
SCHEMBL3971854 0.78 SMN1; SMN2 (0.41) POLBALDH1A1SMN1; SMN2

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-7553842-B2 Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases ARRAY BIOPHARMA INC. (US) 2009-06-30 US disclosed
EP-1838316-A2 MACROCYCLIC ANALOGS FOR THE TREATMENT OF IMMUNOREGULATORY DISORDERS AND RESPIRATORY DISEASES Array Biopharma, Inc. (US) 2007-10-03 EP disclosed
WO-2006078724-A2 MACROCYCLIC ANALOGS FOR THE TREATMENT OF IMMUNOREGULATORY DISORDERS AND RESPIRATORY DISEASES ARRAY BIOPHARMA NC. (US) 2006-07-27 WO disclosed
US-20060160838-A1 Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases ARRAY BIOPHARMA INC. 2006-07-20 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-20060160838-A1 Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases TSLP, XDH, IFNG POLB 2107/4885TDP1 2913/4885CES2 3151/4885

“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.