SCHEMBL6325325

SCHEMBL6325325

COC(=O)CCc1nc(-c2cccc(COC(F)F)c2)no1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
TSHR P16473 2/20 0.50
HTT P42858 2/20 0.47
MAPK1 P28482 2/20 0.47
HPGD P15428 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 3/20 0.46
PKM P14618 1/20 0.46
FFAR1 O14842 1/20 0.46
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
THRB P10828 1/20 0.44
CYP3A4 P08684 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
SCHEMBL6325965 0.89 FFAR1 (0.53) KMT2ATSHRHTTMAPK1CYP1A2
SCHEMBL6327182 0.87 LMNA (0.52) KMT2ATSHRHPGDCYP1A2CYP2C9
SCHEMBL6327928 0.85 KMT2A (0.52) KMT2ATSHRHTTMAPK1HPGD
SCHEMBL6334541 0.85 KMT2A (0.55) KMT2ATSHRHTTMAPK1HPGD
SCHEMBL6325624 0.85 TSHR (0.49) KMT2ATSHRHTTMAPK1HPGD
SCHEMBL6326392 0.82 MAPK1 (0.54) KMT2ATSHRHTTMAPK1HPGD
SCHEMBL27608329 0.80 GAA (0.52) KMT2ATSHRHTTMAPK1HPGD
SCHEMBL6323754 0.79 HTT (0.67) KMT2AHTTHPGDMEN1MAPT
SCHEMBL6325630 0.79 HTT (0.56) KMT2ATSHRHTTMAPK1HPGD
SCHEMBL4564362 0.79 HPGD (0.68) KMT2ATSHRHTTMAPK1HPGD

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 KMT2A 152/4885TSHR 4656/4885HTT 1266/4885

“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.