SCHEMBL6325330

SCHEMBL6325330

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.50
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 3/20 0.48
MAPK1 P28482 1/20 0.48
HPGD P15428 2/20 0.47
PKM P14618 1/20 0.47
TP53 P04637 3/20 0.47
TSHR P16473 3/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL6325972 0.90 FFAR1 (0.61) FFAR1MAPTSMN1; SMN2LMNAHTT
SCHEMBL6327184 0.87 TP53 (0.58) MAPTSMN1; SMN2LMNAHPGDTP53
SCHEMBL6326392 0.82 MAPK1 (0.54) FFAR1MAPTSMN1; SMN2LMNAGLA
SCHEMBL6334386 0.81 HTT (0.52) FFAR1MAPTSMN1; SMN2LMNAHTT
SCHEMBL6323754 0.81 HTT (0.67) FFAR1MAPTSMN1; SMN2LMNAGAA
SCHEMBL4564362 0.80 HPGD (0.68) MAPTSMN1; SMN2LMNAGAAHTT
SCHEMBL6334541 0.80 KMT2A (0.55) MAPTSMN1; SMN2LMNAGLAHTT
SCHEMBL27608329 0.79 GAA (0.52) MAPTSMN1; SMN2LMNAGLAGAA
SCHEMBL6325630 0.78 HTT (0.56) FFAR1MAPTSMN1; SMN2LMNAGAA
SCHEMBL6332408 0.78 MAPT (0.64) FFAR1MAPTSMN1; SMN2HTTMAPK1

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 FFAR1 2536/4885MAPT 729/4885SMN1; SMN2 3494/4885

“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.