SCHEMBL6323844

SCHEMBL6323844

COC(=O)CCC(=O)ONC(=N)c1cccn1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ NFKB1 P19838 3/20 0.42
▸ NFKB2 Q00653 3/20 0.42
▸ RELA Q04206 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ PKM P14618 2/20 0.42
▸ KMT2A Q03164 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ HPGD P15428 2/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ TSHR P16473 1/20 0.37

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
SCHEMBL6326645 0.76 L3MBTL1 (0.40) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL3826858 0.74 MAOB (0.46) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL11476560 0.70 RAB9A (0.49) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6326323 0.70 TSHR (0.41) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL6326009 0.69 RAB9A (0.46) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL866607 0.69 RAB9A (0.58) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL1877283 0.68 RAB9A (0.57) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL3522473 0.67 RAB9A (0.49) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL11178223 0.66 RAB9A (0.56) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL7814459 0.66 MAOB (0.54) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

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 RAB9A 4452/4885NPC1 3350/4885SMN1; 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.

Send feedback