SCHEMBL6326009

SCHEMBL6326009

Cn1cccc1C(=N)NO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.46
NPC1 O15118 7/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
PKM P14618 2/20 0.46
HDAC6 Q9UBN7 5/20 0.44
HDAC8 Q9BY41 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 3/20 0.42
KMT2A Q03164 3/20 0.42

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
SCHEMBL2726554 0.76
SCHEMBL1672023 0.74
Hydrochloric Acid SCHEMBL5731143 0.72 NPC1 (0.43) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6400929 0.72 HTR2C (0.41) SMN1; SMN2HDAC6MAPTPOLBALDH1A1
SCHEMBL30388527 0.71 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6473542 0.70 HSD17B10 (0.46) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL308630 0.70
SCHEMBL11476560 0.69 RAB9A (0.49) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL11147048 0.69 NPC1 (0.53) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL11647114 0.69 MEN1 (0.43) 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 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 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.