SCHEMBL6328110

SCHEMBL6328110

O=C(O)CCc1nc(-c2cc(O)ccc2O)no1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP3A4 P08684 1/20 0.54
HPGD P15428 1/20 0.54
MCL1 Q07820 1/20 0.52
ATM Q13315 2/20 0.51
LMNA P02545 1/20 0.51
MITF O75030 1/20 0.49
TP53 P04637 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
FFAR1 O14842 7/20 0.45
HCAR2 Q8TDS4 1/20 0.44

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
SCHEMBL6324009 0.90 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDMCL1
SCHEMBL6325690 0.83 ALDH1A1 (0.67) TSHRALDH1A1CYP3A4HPGDMCL1
SCHEMBL6325165 0.80 TSHR (0.76) TSHRALDH1A1MCL1ATMLMNA
SCHEMBL6325487 0.80 TSHR (0.67) TSHRALDH1A1CYP3A4HPGDMCL1
SCHEMBL6326164 0.78 ALDH1A1 (0.63) TSHRALDH1A1CYP3A4HPGDMCL1
SCHEMBL6326409 0.78 ALDH1A1 (0.60) TSHRALDH1A1CYP3A4HPGDMCL1
SCHEMBL6326301 0.77 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDMCL1
SCHEMBL6324077 0.77 MCL1 (0.60) TSHRALDH1A1CYP3A4HPGDMCL1
SCHEMBL13781596 0.76 HCAR2 (0.65) TSHRALDH1A1MCL1ATMLMNA
SCHEMBL6328228 0.74 ALDH1A1 (0.65) TSHRALDH1A1CYP3A4HPGDMCL1

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 4656/4885ALDH1A1 338/4885CYP3A4 841/4885

“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.