SCHEMBL6328519

SCHEMBL6328519

CCOc1ccc(-c2noc(CCC(=O)NCCCNc3n[nH]c(=O)c4ccccc34)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.52
MITF O75030 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
HPGD P15428 4/20 0.51
GAA P10253 3/20 0.49
HTT P42858 2/20 0.49
POLB P06746 2/20 0.48
TSHR P16473 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
THRB P10828 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL6326636 0.94 HPGD (0.52) TP53MITFNCOA3HPGDGAA
SCHEMBL6331331 0.92 MAPT (0.51) HPGDGAAHTTPOLBTSHR
SCHEMBL6328474 0.91 GAA (0.57) TP53HPGDGAAHTTPOLB
SCHEMBL6333224 0.90 HPGD (0.50) TP53HPGDGAAHTTPOLB
SCHEMBL6331270 0.90 HPGD (0.47) TP53HPGDGAAHTTPOLB
SCHEMBL6327284 0.90 GAA (0.55) TP53HPGDGAAHTTPOLB
SCHEMBL6325574 0.90 TSHR (0.58) TP53HPGDGAAHTTTSHR
SCHEMBL6328316 0.89 TSHR (0.48) TP53HPGDGAAHTTPOLB
SCHEMBL6327904 0.89 HPGD (0.59) HPGDGAAHTTTSHRSMN1; SMN2
SCHEMBL6328284 0.89 HPGD (0.52) TP53HPGDGAAHTTTSHR

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 TP53 81/4885MITF 1978/4885NCOA3 432/4885

“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.