SCHEMBL6326324

SCHEMBL6326324

COC(=O)CCC(=O)ON=C(N)c1ccc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.43
▸ L3MBTL1 Q9Y468 6/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ MEN1 O00255 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
SCHEMBL13753262 0.76 TDP1 (0.64) L3MBTL1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL6326323 0.75 TSHR (0.41) TSHRALDH1A1MAPTKDM4EKMT2A
SCHEMBL7849073 0.73 HDAC3 (0.55) KDM4ELMNAGAA
SCHEMBL9383990 0.72 TSHR (0.54) TSHRMAPTKMT2AHSD17B10LMNA
SCHEMBL5160589 0.72 TSHR (0.53) TSHRALDH1A1MAPTKDM4EKMT2A
SCHEMBL6326645 0.70 L3MBTL1 (0.40) L3MBTL1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL8589362 0.67 ALDH1A1 (0.43) TSHRALDH1A1MAPTKDM4EKMT2A
SCHEMBL520445 0.67 — —
SCHEMBL14436880 0.66 TSHR (0.84) TSHRL3MBTL1MAPTKMT2AHSD17B10
SCHEMBL16992520 0.66 NPC1 (0.49) KDM4ELMNAGAANPC1RAB9A

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 6 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
CN-1568187-A 2H-2,3-dinitrogen phenodiazine-1-ketone and using method thereof ICOS CORP (US) 2005-01-19 — — CN 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 4656/4885L3MBTL1 2390/4885ALDH1A1 338/4885

“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.

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