SCHEMBL4267364

SCHEMBL4267364

CC(C)(C)OC(=O)c1cc([N+](=O)[O-])n(N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NR3C2 P08235 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
GABRG2 P18507 7/20 0.33
GABRB3 P28472 7/20 0.33
GABRA5 P31644 6/20 0.33
GABRA1 P14867 6/20 0.33
GABRA3 P34903 6/20 0.33
GABRA2 P47869 6/20 0.33
GABRA6 Q16445 4/20 0.33
GABRA4 P48169 3/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33

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
SCHEMBL4037598 0.74 MAPT (0.36) MAPTLMNAALDH1A1NR3C2KCNH2
SCHEMBL14688254 0.68 HPGD (0.46) METMAPTLMNAALDH1A1NR3C2
SCHEMBL31270988 0.67 ALOX5 (0.53) MAPTALDH1A1NR3C2SMN1; SMN2MEN1
SCHEMBL8137824 0.67 SMN1; SMN2 (0.52) MAPTALDH1A1NR3C2SMN1; SMN2MEN1
SCHEMBL610407 0.67 SMN1; SMN2 (0.39) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL25815441 0.66 BAZ2B (0.53) LMNAALDH1A1GABRG2GABRB3GABRA5
SCHEMBL31746020 0.66 NR3C2 (0.37) MAPTLMNAALDH1A1NR3C2GABRG2
SCHEMBL3635116 0.66 HTT (0.33) ALDH1A1MEN1KMT2A
SCHEMBL25252579 0.65 HTT (0.55) MAPTLMNAALDH1A1CA12CA1
SCHEMBL31336826 0.65 GABRG2 (0.36) GABRG2GABRB3GABRA5GABRA1GABRA3

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
EP-2102211-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS Alantos Pharmaceuticals Holding, Inc. (US) 2009-09-23 EP disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
WO-2008063671-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 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-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 MET 2697/4885MAPT 3514/4885LMNA 2457/4885

“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.