SCHEMBL13799234

SCHEMBL13799234

C=C1CNCC(=O)N1CCCc1c([N+](=O)[O-])ccc2oc(=O)ccc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KCNA3 P22001 1/20 0.31
▸ KCNA5 P22460 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31

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
SCHEMBL13799210 0.94 KCNA3 (0.33) ALDH1A1MAPTKCNA3KCNA5CYP19A1
SCHEMBL13799228 0.73 P2RX3 (0.34) ALDH1A1MAPTKCNA3KCNA5
SCHEMBL14264173 0.69 MAPT (0.41) ALDH1A1MAPTKCNA3KCNA5CYP19A1
SCHEMBL13799206 0.67 PARP1 (0.46) ALDH1A1MAPT
SCHEMBL13799205 0.67 KMT2A (0.40) ALDH1A1MAPT
SCHEMBL14264184 0.66 CYP19A1 (0.34) ALDH1A1MAPTKCNA3KCNA5CYP19A1
SCHEMBL14264177 0.65 TDP1 (0.44) ALDH1A1MAPTKCNA3KCNA5
SCHEMBL13799209 0.62 ALDH1A1 (0.45) ALDH1A1MAPT
SCHEMBL999018 0.62 MAPT (0.43) ALDH1A1MAPTKCNA3KCNA5
SCHEMBL29434953 0.62 MAPT (0.43) ALDH1A1MAPTKCNA3KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149417-A1 Methods and compositions for the treatment of cancer using benzopyrone-type PARP inhibitors BIPAR SCIENCES, INC. 2009-06-11 — — US disclosed
US-20080076778-A1 METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF BIPAR SCIENCES, INC. (US) 2008-03-27 — — 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 (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-20090149417-A1 Methods and compositions for the treatment of cancer using benzopyrone-type PARP inhibitors PARP1, PARP2, PARP3 ALDH1A1 674/4885MAPT 3550/4885KCNA3 4214/4885
US-20080076778-A1 METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF PARP3, PARP1, PARP15 ALDH1A1 1787/4885MAPT 3488/4885KCNA3 4627/4885

“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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