SCHEMBL6328013

SCHEMBL6328013

COc1ccc(-c2noc(CCC(=O)NCCNCc3n[nH]c(=O)c4ccccc34)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ GAA P10253 2/20 0.57
▸ LMNA P02545 5/20 0.56
▸ HPGD P15428 4/20 0.56
▸ HTT P42858 3/20 0.56
▸ MAPT P10636 4/20 0.55
▸ ALDH1A1 P00352 4/20 0.52
▸ TP53 P04637 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ ATM Q13315 1/20 0.50

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
SCHEMBL6324750 0.92 TSHR (0.57) TSHRSMN1; SMN2GAALMNAHPGD
SCHEMBL6325619 0.91 CYP1A2 (0.58) TSHRSMN1; SMN2GAALMNAHPGD
SCHEMBL6325218 0.87 MAPT (0.53) TSHRSMN1; SMN2GAALMNAHPGD
SCHEMBL6323563 0.87 TSHR (0.57) TSHRSMN1; SMN2GAALMNAHPGD
SCHEMBL6328474 0.84 GAA (0.57) TSHRSMN1; SMN2GAALMNAHPGD
SCHEMBL6323049 0.82 HPGD (0.56) TSHRSMN1; SMN2GAALMNAHPGD
SCHEMBL6328312 0.82 PARP1 (0.46) TSHRSMN1; SMN2GAALMNAHPGD
SCHEMBL6324067 0.81 MAPT (0.72) TSHRSMN1; SMN2GAALMNAHPGD
SCHEMBL6332336 0.80 GAA (0.53) TSHRSMN1; SMN2GAALMNAHPGD
SCHEMBL6328207 0.80 GAA (0.53) TSHRSMN1; SMN2GAALMNAHPGD

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 TSHR 4656/4885SMN1; SMN2 3494/4885GAA 2424/4885

“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.

Send feedback