SCHEMBL3908587

SCHEMBL3908587

O=C(O)Cn1[nH]c(=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
ATM Q13315 1/20 0.41
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
PARP1 P09874 1/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
AKR1B1 P15121 1/20 0.40
F2R P25116 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3903252 0.85 TDP1 (0.43) CA1CA2ACHEMAPTPOLB
SCHEMBL3652994 0.85 MEN1 (0.43) CA1CA2ACHEMAPTPOLB
SCHEMBL3654138 0.83 MAPT (0.49) MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL3650526 0.82 CYP1A2 (0.52) MAPTPOLBATMCA12CA9
SCHEMBL3646520 0.80 CNR1 (0.50) ACHEMAPTMEN1KMT2ALMNA
SCHEMBL5255233 0.79 CA1 (0.49) CA1CA2ACHEMAPTPOLB
SCHEMBL3650932 0.78 PARP1 (0.40) MAPTPOLBATMCA12CA9
SCHEMBL3903296 0.78 MEN1 (0.49) MAPTPOLBATMCA12CA9
SCHEMBL27697832 0.78 MEN1 (0.48) CA1CA2ACHEMAPTPOLB
SCHEMBL3905791 0.76 IDO1 (0.50) ACHEMAPTPOLBCYP1A2MEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101027286-B Indazolone derivatives as 11b-HSD1 inhibitors HOFFMANN LA ROCHE 2011-05-25 CN disclosed
US-7528158-B2 Indazolone derivatives useful as 11b-HSD1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2009-05-05 US disclosed
EP-1797042-B1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-01-07 EP disclosed
CN-101027286-A Indazolone derivatives as 11 b-HSD 1 inhibitors HOFFMANN LA ROCHE (CH) 2007-08-29 CN disclosed
EP-1797042-A1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-06-20 EP disclosed
WO-2006034804-A1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-04-06 WO disclosed
US-20060069269-A1 Novel indazolone derivatives useful as 11b-HSD1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-03-30 US 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-20060069269-A1 Novel indazolone derivatives useful as 11b-HSD1 inhibitors HSD17B1, HSD11B1, HSD17B7 CA1 2473/4885CA2 2750/4885ACHE 3599/4885

“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.