SCHEMBL13799205

SCHEMBL13799205

O=c1ccc2c(CCc3ccc(CN4CCCC4)cc3)c([N+](=O)[O-])ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ NR2E3 Q9Y5X4 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ MBTD1 Q05BQ5 1/20 0.38
▸ L3MBTL3 Q96JM7 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KCNJ1 P48048 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL14277891 0.75 MEN1 (0.40) KMT2AMEN1L3MBTL1TDP1HRH3
SCHEMBL14264173 0.72 MAPT (0.41) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL13799210 0.72 KCNA3 (0.33) MAPTALDH1A1
SCHEMBL13799208 0.70 HTR1A (0.50) DRD4
SCHEMBL13799206 0.68 PARP1 (0.46) KMT2AMEN1DRD4MAPTALDH1A1
SCHEMBL13799234 0.67 ALDH1A1 (0.32) MAPTALDH1A1
SCHEMBL16054847 0.66 L3MBTL1 (0.61) KMT2AMEN1L3MBTL1TDP1HRH3
SCHEMBL2206628 0.65 KDM4E (0.73) HRH3MAPTALDH1A1LMNAKCNJ1
SCHEMBL14264177 0.65 TDP1 (0.44) KMT2AMEN1TDP1MAPTALDH1A1
SCHEMBL999018 0.65 MAPT (0.43) KMT2AMEN1CA12CA9MAPT

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 KMT2A 768/4885MEN1 2495/4885CA12 3869/4885
US-20080076778-A1 METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF PARP3, PARP1, PARP15 KMT2A 982/4885MEN1 3631/4885CA12 4654/4885

“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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