SCHEMBL8201681

SCHEMBL8201681

O=C(O)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
POLB P06746 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPT P10636 2/20 0.58
PLA2G1B P04054 1/20 0.58
DUSP3 P51452 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
ATG4B Q9Y4P1 1/20 0.58
SAE1 Q9UBE0 1/20 0.58
UBA2 Q9UBT2 1/20 0.58
PARP1 P09874 3/20 0.54
ALDH1A1 P00352 3/20 0.50
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
GUSB P08236 2/20 0.46
TNKS O95271 1/20 0.46

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
SCHEMBL8196676 0.87 MAPT (0.54) MEN1POLBKMT2AMAPTPLA2G1B
SCHEMBL28738676 0.85 MAPT (0.59) MEN1POLBKMT2AMAPTPLA2G1B
SCHEMBL28738684 0.83 MAPT (0.54) MEN1POLBKMT2AMAPTPLA2G1B
SCHEMBL29488257 0.83 MAPT (0.54) MEN1POLBKMT2AMAPTPLA2G1B
SCHEMBL4936663 0.82 MAPT (0.51) MEN1POLBKMT2AMAPTPLA2G1B
SCHEMBL28738671 0.82 MAPT (0.51) MEN1POLBKMT2AMAPTPLA2G1B
SCHEMBL3640534 0.82 ALDH1A1 (0.61) MEN1POLBKMT2AMAPTPLA2G1B
SCHEMBL3935171 0.82 ALDH1A1 (0.61) MEN1POLBKMT2AMAPTPLA2G1B
SCHEMBL28738715 0.81 MAPT (0.55) MEN1POLBKMT2AMAPTPLA2G1B
SCHEMBL2257236 0.81 PARP1 (0.57) MEN1POLBKMT2AMAPTPARP1

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
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
CN-1976907-A Heterocyclic amide compound and use thereof as an MMP-13 inhibitor TAKEDA PHARMACEUTICAL (JP) 2007-06-06 CN 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-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MEN1 2377/4885POLB 430/4885KMT2A 2275/4885

“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.