SCHEMBL13799228

SCHEMBL13799228

CC(C)(C)OC(=O)N1CC(=O)N(CCCc2c([N+](=O)[O-])ccc3oc(=O)ccc23)C(=O)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ MAPT P10636 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ CA5A P35218 2/20 0.33
▸ CA7 P43166 2/20 0.33
▸ CA5B Q9Y2D0 2/20 0.33
▸ KCNA3 P22001 1/20 0.32
▸ KCNA5 P22460 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 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 0.78 KCNA3 (0.33) ALDH1A1MAPTKCNA3KCNA5TSHR
SCHEMBL13799234 0.73 ALDH1A1 (0.32) ALDH1A1MAPTKCNA3KCNA5
SCHEMBL13799227 0.66 USP2 (0.37) MAPTKDM4EMAPK1
SCHEMBL13799205 0.64 KMT2A (0.40) ALDH1A1MAPTLMNACA12KDM4E
SCHEMBL14264177 0.63 TDP1 (0.44) ALDH1A1MAPTLMNAKCNA3KCNA5
SCHEMBL13799231 0.61 MAPT (0.35) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL28782607 0.60 DPP4 (0.54) P2RX3ALDH1A1MAPTLMNAKDM4E
SCHEMBL31129949 0.60 ALDH1A1 (0.51) ALDH1A1MAPTLMNATSHRMEN1
SCHEMBL13799209 0.60 ALDH1A1 (0.45) ALDH1A1MAPTLMNACA12KDM4E
SCHEMBL14264184 0.60 CYP19A1 (0.34) 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 5 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-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
US-20080076778-A1 METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF BIPAR SCIENCES, INC. (US) 2008-03-27 — — US disclosed
WO-2008030887-A2 METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF BIPAR SCIENCES, INC. (US) 2008-03-13 — — 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 (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 P2RX3 1054/4885ALDH1A1 674/4885MAPT 3550/4885
US-20080076778-A1 METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF PARP3, PARP1, PARP15 P2RX3 3150/4885ALDH1A1 1787/4885MAPT 3488/4885

“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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