SCHEMBL3904656

SCHEMBL3904656

O=c1[nH]n(Cc2ccc(F)c(F)c2)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
ABCC1 P33527 2/20 0.39
CYP3A4 P08684 1/20 0.39
SLC29A1 Q99808 1/20 0.39
POLB P06746 1/20 0.39
S1PR3 Q99500 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HIF1A Q16665 1/20 0.38
IDO1 P14902 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
PARP1 P09874 1/20 0.36
P2RX4 Q99571 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
SCHEMBL3913055 0.88 POLB (0.50) POLBMEN1KMT2AP2RX4
SCHEMBL3905791 0.86 IDO1 (0.50) POLBALDH1A1IDO1MEN1KMT2A
SCHEMBL3646520 0.83 CNR1 (0.50) MEN1KMT2AP2RX4
SCHEMBL3915341 0.80 DAO (0.44) DAOS1PR3ALDH1A1
SCHEMBL3652866 0.80 PIK3R1 (0.50) MEN1KMT2A
SCHEMBL3904624 0.78 POLB (0.43) ABCC1CYP3A4SLC29A1POLBS1PR3
SCHEMBL3649844 0.77 PIK3R1 (0.51) DAOPOLBALDH1A1MEN1KMT2A
SCHEMBL3650526 0.77 CYP1A2 (0.52) DAOPOLBMEN1KMT2ACA12
SCHEMBL3903296 0.76 MEN1 (0.49) DAOPOLBMEN1KMT2ACA12
SCHEMBL10037024 0.75 P2RX4 (0.60) POLBALDH1A1MEN1KMT2ACA12

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 DAO 3870/4885ABCC1 436/4885CYP3A4 51/4885

“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.