SCHEMBL4511230

SCHEMBL4511230

O=C1NCCc2ccc3c(c21)C=C([N+](=O)[O-])CO3

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.34
▸ PARP10 Q53GL7 5/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ PARP11 Q9NR21 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ F7 P08709 1/20 0.31
▸ F3 P13726 1/20 0.31
▸ RYR1 P21817 2/20 0.31
▸ FKBP1A P62942 2/20 0.31
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NCOA1 Q15788 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ NCOA3 Q9Y6Q9 1/20 0.30
▸ ADRA2A P08913 1/20 0.30
▸ PNMT P11086 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
SCHEMBL4502249 0.87 AURKA (0.37) MAPT
SCHEMBL4490589 0.77 MAPT (0.33) PARP1PARP10KDM4ELMNAMAPT
SCHEMBL4495920 0.72 PARP1 (0.39) PARP1
SCHEMBL4708357 0.72 POLB (0.37) —
SCHEMBL4510164 0.70 CYP1A2 (0.39) PARP1PARP10PDPK1PARP11KDM4E
SCHEMBL12087018 0.69 HTR2A (0.42) PARP1PARP10PDPK1PARP11F7
SCHEMBL4718488 0.68 ACHE (0.50) PARP1PARP10PDPK1PARP11MAPT
SCHEMBL4493259 0.67 HTR1A (0.44) PARP1PARP10KDM4EF7F3
SCHEMBL19229255 0.66 ALDH1A1 (0.43) PARP1PARP10PDPK1PARP11F7
SCHEMBL28757981 0.64 ALDH1A1 (0.42) LMNAMAPTHTTTDP1

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-7495111-B2 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists WYETH (US) 2009-02-24 — — US disclosed
EP-1893617-A1 TRICYCLIC COMPOUNDS USEFUL AS SEROTONIN INHIBITORS AND 5-HT1A AGONISTS AND ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-03-05 — — EP disclosed
US-20070149585-A1 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists WYETH (US) 2007-06-28 — — US disclosed
WO-2006138549-A1 TRICYCLIC COMPOUNDS USEFUL AS SEROTONIN INHIBITORS AND 5-HT1A AGONISTS AND ANTAGONISTS WYETH (US) 2006-12-28 — — 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-20070149585-A1 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists HTR1A, HTR7, HTR3A PARP1 3440/4885PARP10 2908/4885PDPK1 1792/4885

“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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