SCHEMBL6326079

SCHEMBL6326079

O=c1[nH]nc(NCCCNCCCc2nc(-c3ccc(O)cc3)no2)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AURKB Q96GD4 4/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ TNKS O95271 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.38
▸ PARP2 Q9UGN5 1/20 0.38
▸ S1PR2 O95136 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
SCHEMBL6328284 0.88 HPGD (0.52) HCAR2ALDH1A1MEN1GAAMAPT
SCHEMBL6324564 0.84 ALDH1A1 (0.49) ALDH1A1MEN1MAPTKMT2AAURKB
SCHEMBL6332801 0.82 HPGD (0.53) ALDH1A1MEN1GAAMAPTHTT
SCHEMBL6325850 0.81 HDAC1 (0.51) ALDH1A1KDM4EGAAHTTHDAC1
SCHEMBL6328068 0.81 HDAC1 (0.51) ALDH1A1GAAMAPTHTTAURKB
SCHEMBL6328500 0.81 GAA (0.54) ALDH1A1GAAMAPTHTTHDAC1
SCHEMBL6327904 0.81 HPGD (0.59) ALDH1A1MEN1GAAMAPTHTT
SCHEMBL6328158 0.80 HPGD (0.53) ALDH1A1MEN1GAAMAPTHTT
SCHEMBL5072062 0.80 MAPT (0.44) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL6328370 0.80 KMT2A (0.48) ALDH1A1KDM4EMEN1GAAMAPT

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
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 — — EP disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 — — US disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 — — EP disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 — — US disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 — — 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 HCAR2 971/4885ALDH1A1 338/4885KDM4E 360/4885

“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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