SCHEMBL6326150

SCHEMBL6326150

COc1ccc(-c2noc(CCC(=O)NCCCNc3n[nH]c(=O)c4cccc([N+](=O)[O-])c34)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.51
▸ TSHR P16473 6/20 0.49
▸ HPGD P15428 5/20 0.49
▸ LMNA P02545 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ HTT P42858 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL6328474 0.85 GAA (0.57) MAPTTSHRHPGDLMNASMN1; SMN2
SCHEMBL6328207 0.83 GAA (0.53) MAPTTSHRHPGDLMNASMN1; SMN2
SCHEMBL6324829 0.82 GAA (0.56) MAPTTSHRHPGDLMNASMN1; SMN2
SCHEMBL6323563 0.82 TSHR (0.57) MAPTTSHRHPGDLMNASMN1; SMN2
SCHEMBL6332462 0.82 HDAC1 (0.50) MAPTTSHRHPGDLMNASMN1; SMN2
SCHEMBL6332336 0.82 GAA (0.53) MAPTTSHRHPGDLMNASMN1; SMN2
SCHEMBL6326426 0.81 KMT2A (0.54) MAPTTSHRHPGDLMNASMN1; SMN2
SCHEMBL6334202 0.80 HDAC1 (0.50) MAPTTSHRHPGDLMNASMN1; SMN2
SCHEMBL6323802 0.80 HPGD (0.52) MAPTTSHRHPGDLMNASMN1; SMN2
SCHEMBL6328519 0.80 TP53 (0.52) MAPTTSHRHPGDLMNASMN1; SMN2

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 MAPT 729/4885TSHR 4656/4885HPGD 539/4885

“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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