SCHEMBL6711042

SCHEMBL6711042

Cc1nc2nc(C(O)O)ccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
ADRB2 P07550 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HSP90AA1 P07900 1/20 0.33
ESR2 Q92731 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PARP1 P09874 1/20 0.33
F9 P00740 1/20 0.32
HPGD P15428 2/20 0.31
HTT P42858 2/20 0.31
USP2 O75604 1/20 0.31
PRMT5 O14744 1/20 0.31
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL12437102 0.83 SMN1; SMN2 (0.37) SMN1; SMN2ADRB2ALDH1A1HSP90AA1ESR2
SCHEMBL7914435 0.74 SMN1; SMN2 (0.41) SMN1; SMN2ADRB2ALDH1A1HSP90AA1ESR2
SCHEMBL6300137 0.71 SMN1; SMN2 (0.47) SMN1; SMN2ADRB2ALDH1A1HSP90AA1ESR2
SCHEMBL6299123 0.71 ALDH1A1 (0.44) SMN1; SMN2ADRB2ALDH1A1HSP90AA1ESR2
SCHEMBL22533879 0.68 CHEK2 (0.49) SMN1; SMN2ADRB2ALDH1A1HSP90AA1ESR2
SCHEMBL6298821 0.67 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1PARP1
SCHEMBL6299294 0.66 MAPK1 (0.42) SMN1; SMN2ALDH1A1HSP90AA1ESR2TDP1
SCHEMBL13594653 0.64 ADRB2 (0.52) SMN1; SMN2ADRB2ALDH1A1HSP90AA1ESR2
SCHEMBL13911135 0.63 SMN1; SMN2 (0.39) SMN1; SMN2ADRB2ALDH1A1HSP90AA1ESR2
SCHEMBL805045 0.63 NUDT1 (0.60) SMN1; SMN2HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-16 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-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications PDE2A, PDE3A, PYGM SMN1; SMN2 1017/4885ADRB2 32/4885ALDH1A1 1067/4885

“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.