SCHEMBL6330709

SCHEMBL6330709

O=C(CCc1nc(-c2cccc(O)c2O)no1)NCCCNc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
GAA P10253 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 4/20 0.43
TSHR P16473 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL6333108 0.92 HPGD (0.46) ALDH1A1GAALMNAHPGDTSHR
SCHEMBL6326959 0.89 ALDH1A1 (0.45) ALDH1A1GAALMNAHPGDTSHR
SCHEMBL6326450 0.88 ALDH1A1 (0.54) ALDH1A1GAALMNAHPGDTSHR
SCHEMBL6328467 0.88 ALDH1A1 (0.44) ALDH1A1GAALMNAHPGDTSHR
SCHEMBL6332651 0.86 ALDH1A1 (0.51) ALDH1A1GAALMNAHPGDTSHR
SCHEMBL6328017 0.86 ALDH1A1 (0.53) ALDH1A1GAALMNAHPGDTSHR
SCHEMBL6327904 0.86 HPGD (0.59) ALDH1A1GAALMNAHPGDTSHR
SCHEMBL6328284 0.86 HPGD (0.52) ALDH1A1GAALMNAHPGDTSHR
SCHEMBL6330633 0.85 HPGD (0.49) ALDH1A1GAALMNAHPGDTSHR
SCHEMBL6326190 0.85 ALDH1A1 (0.45) ALDH1A1GAALMNAHPGDTSHR

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 ALDH1A1 338/4885GAA 2424/4885LMNA 448/4885

“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.