SCHEMBL6328194

SCHEMBL6328194

CC(C)(C)OC(=O)N1CCCC(c2noc(CCC(=O)O)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
USP30 Q70CQ3 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGDS O60760 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TRPV3 Q8NET8 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
MIF P14174 1/20 0.39
GLS O94925 2/20 0.39
PRMT5 O14744 2/20 0.38
LDHA P00338 1/20 0.38
JAK2 O60674 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
SCHEMBL6323377 0.90 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EGLARECQL
SCHEMBL6323599 0.88 GPR119 (0.46) KDM4ERECQLUSP30MAPTGPR119
SCHEMBL6333012 0.83 ALDH1A1 (0.45) ALDH1A1HSD17B10MEN1MAPTKMT2A
SCHEMBL30758922 0.83 GLS (0.43) ALDH1A1HPGDKDM4EGLARECQL
SCHEMBL13678714 0.81 HDAC4 (0.46) ALDH1A1HPGDKDM4EGLARECQL
SCHEMBL6328563 0.81 LDHA (0.40) MIFLDHAHSD11B1
SCHEMBL4226907 0.80 HSD11B1 (0.48) ALDH1A1HPGDKDM4EGLARECQL
SCHEMBL6463093 0.80 ALDH1A1 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL3137633 0.79 CNR1 (0.46) USP30MEN1KMT2AHPGDSHDAC4
SCHEMBL3137640 0.79 CNR1 (0.46) USP30MEN1KMT2AHPGDSHDAC4

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 ALDH1A1 338/4885HPGD 539/4885KDM4E 360/4885

“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.