SCHEMBL3086161

SCHEMBL3086161

N#Cc1ccc2oc3cc([N+](=O)[O-])ccc3c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPT P10636 1/20 0.61
VCAM1 P19320 3/20 0.44
RAD51 Q06609 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 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
SCHEMBL11554110 0.81 CYP2A6 (0.44) MEN1KMT2AMAPTALDH1A1
SCHEMBL7703302 0.81 MEN1 (0.82) MEN1KMT2AMAPTCA12CA9
SCHEMBL3955123 0.78 MEN1 (0.67) MEN1KMT2AMAPTALDH1A1GABRP
SCHEMBL3072969 0.78 MEN1 (0.67) MEN1KMT2AMAPTCA12CA9
SCHEMBL548410 0.78 CYP2A6 (0.50) MEN1KMT2AMAPTCA12CA9
Dibenzofuran SCHEMBL28066911 0.77 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1GABRP
SCHEMBL483262 0.77 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1GABRP
SCHEMBL3065729 0.74 MEN1 (0.61) MEN1KMT2AMAPTCA12CA9
SCHEMBL3085245 0.74 MEN1 (0.61) MEN1KMT2AMAPTCA12CA9
SCHEMBL16906001 0.74 IDO1 (0.45) MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH LLC 2010-09-09 US disclosed
US-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH LLC 2010-09-09 US disclosed
EP-2144893-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2010-01-20 EP disclosed
WO-2008137816-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-11-13 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-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS MMP13, MMP2, MMP12 MEN1 1785/4885KMT2A 2746/4885MAPT 3889/4885

“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.