SCHEMBL6326015

SCHEMBL6326015

Cn1cccc1C(N)=NO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 3/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
PKM P14618 1/20 0.39
MAOB P27338 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL15761169 0.77 HSD17B10 (0.43) ALDH1A1HSD17B10ALOX15TSHRMAPT
SCHEMBL17134012 0.77 HSD17B10 (0.43) ALDH1A1HSD17B10ALOX15TSHRMAPT
SCHEMBL308631 0.74
SCHEMBL1672023 0.74
SCHEMBL7345465 0.74
Hydrochloric Acid SCHEMBL5731143 0.72 NPC1 (0.43) ALDH1A1HSD17B10ALOX15TSHRMAPT
SCHEMBL6400932 0.72 ALDH1A1 (0.45) ALDH1A1GAAMAPTLMNA
SCHEMBL5242727 0.71 NPC1 (0.46) HSD17B10RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL5242731 0.71 NPC1 (0.46) HSD17B10RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL6473542 0.70 HSD17B10 (0.46) ALDH1A1HSD17B10ALOX15TSHRMAPT

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 338/4885HSD17B10 1292/4885ALOX15 1940/4885

“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.