SCHEMBL8031279

SCHEMBL8031279

Cn1nc(C2CCCC2)c([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ POLB P06746 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PKM P14618 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ BLM P54132 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4001733 0.87 SMN1; SMN2 (0.52) SMN1; SMN2MAPTPOLBPKMALDH1A1
SCHEMBL5414707 0.82 SMN1; SMN2 (0.36) SMN1; SMN2MAPTPOLBALDH1A1MEN1
SCHEMBL5417394 0.81 ALDH1A1 (0.39) SMN1; SMN2MAPTPOLBALDH1A1MEN1
SCHEMBL9386006 0.77 PKM (0.35) MAPTTDP1PKMALDH1A1MEN1
SCHEMBL15567088 0.74 MAPT (0.38) MAPTPKMALDH1A1MEN1KMT2A
SCHEMBL1609142 0.73 MAPT (0.61) MAPTPOLBPKMALDH1A1MEN1
SCHEMBL4705798 0.73 MEN1 (0.46) SMN1; SMN2MAPTPOLBTDP1L3MBTL1
Hydrochloric Acid SCHEMBL11271192 0.72 MAPT (0.59) MAPTPOLBPKMALDH1A1MEN1
SCHEMBL2362294 0.72 POLB (0.40) MAPTPOLBTDP1L3MBTL1RAB9A
SCHEMBL10920509 0.71 SMN1; SMN2 (0.42) SMN1; SMN2MAPTPOLBTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014024125-A1 PYRAZOLO[4,3-D]PYRIMIDIN-7(6H)-ONE DERIVATIVES AS PDE9 INHIBITORS CELON PHARMA S.A. (PL) 2014-02-13 — — WO disclosed
WO-2009071707-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-06-11 — — WO disclosed
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 — — US disclosed
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 — — US disclosed
WO-2008071650-A2 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-19 — — 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-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases PDE4A, PDE7B, PDE4B SMN1; SMN2 2362/4885MAPT 3196/4885POLB 1048/4885

“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.

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