SCHEMBL6325306

SCHEMBL6325306

CC(C)[Si](OCc1ccc(C#N)cc1)(C(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.47
LOXL2 Q9Y4K0 2/20 0.44
MAOB P27338 2/20 0.43
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
CYP19A1 P11511 1/20 0.40
KMT2A Q03164 1/20 0.39
PARP1 P09874 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 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
SCHEMBL13244620 0.82 PARP1 (0.36) MAOBPARP1
SCHEMBL6333081 0.80 GLA (0.50) MAOBCYP19A1ALDH1A1
SCHEMBL9231991 0.79 CYP2A6 (0.52) CYP2A6LOXL2MAOBRAB9ANPC1
SCHEMBL5199115 0.78 FBP1 (0.40) MAOBRAB9ANPC1SMN1; SMN2GAA
SCHEMBL15298776 0.77 AGXT (0.48) CYP2A6MAOBRAB9ANPC1SMN1; SMN2
SCHEMBL9889127 0.77 TAAR1 (0.45) HSD17B10KMT2APARP1ALDH1A1
SCHEMBL932721 0.77 PARP1 (0.39) TSHRPARP1ALDH1A1
SCHEMBL481324 0.77 MAOB (0.40) MAOBPARP1
SCHEMBL481485 0.76 GAA (0.38) MAOBRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL481111 0.76 VNN1 (0.48)

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 CYP2A6 1070/4885LOXL2 4427/4885MAOB 1227/4885

“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.