SCHEMBL3903296

SCHEMBL3903296

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 6/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
PARP1 P09874 3/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
PGR P06401 1/20 0.39
DAO P14920 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL3650526 0.85 CYP1A2 (0.52) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL3651624 0.80 MEN1 (0.54) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL3656241 0.79 F2RL3 (0.46) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL3908587 0.78 CA1 (0.41) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL3650932 0.78 PARP1 (0.40) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL3646520 0.77 CNR1 (0.50) MEN1KMT2AMAPTLMNA
SCHEMBL3905645 0.77 ALDH1A1 (0.36) MEN1KMT2AMAPTPARP1CA12
SCHEMBL3652994 0.77 MEN1 (0.43) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL3903252 0.77 TDP1 (0.43) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL3648969 0.77 MAPT (0.53) MEN1KMT2AMAPTLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MEN1 1310/4885KMT2A 4023/4885MAPT 2996/4885

“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.