SCHEMBL6866237

SCHEMBL6866237

CC(C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.62
MAPT P10636 3/20 0.60
ALDH1A1 P00352 5/20 0.60
HPGD P15428 3/20 0.60
GAA P10253 2/20 0.60
HTT P42858 1/20 0.60
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 1/20 0.58
HSP90AA1 P07900 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
LMNA P02545 3/20 0.57
MAPK1 P28482 2/20 0.57
RAF1 P04049 1/20 0.57
GFER P55789 1/20 0.57
PAX8 Q06710 1/20 0.57
PKM P14618 1/20 0.56

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
SCHEMBL13753658 0.86 ALDH1A1 (0.61) VCAM1MAPTALDH1A1HPGDGAA
SCHEMBL7973732 0.83 VCAM1 (0.68) VCAM1MAPTALDH1A1HPGDMEN1
SCHEMBL7981162 0.82 MAPT (0.79) VCAM1MAPTALDH1A1HPGDGAA
SCHEMBL27967569 0.81 VCAM1 (0.70) VCAM1MAPTALDH1A1HPGDHTT
SCHEMBL10664878 0.81 HCAR3 (0.67) MAPTALDH1A1HPGDGAAHTT
SCHEMBL13761390 0.81 MEN1 (0.52) VCAM1MAPTALDH1A1HPGDGAA
SCHEMBL26418203 0.81 HTT (0.55) ALDH1A1HPGDGAAHTTMEN1
SCHEMBL4343389 0.81 ALDH1A1 (0.66) VCAM1MAPTALDH1A1HPGDGAA
SCHEMBL9196606 0.80 VCAM1 (0.68) VCAM1MAPTALDH1A1HPGDMEN1
SCHEMBL51755 0.80 LMNA (0.72) VCAM1MAPTALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1304382-C Novel P2X for use in the treatment of inflammatory, immune or cardiovascular diseases7Receptor antagonists ASTRAZENECA AB (SE) 2007-03-14 CN disclosed
CN-1694876-A Dibenzoxazepine BAYER HEALTHCARE AG (DE) 2005-11-09 CN disclosed
US-6812226-B2 FOR THERAPY OF RHEUMATOID ARTHRITIS, EFFECTING IMMUNOSUPPRESSION ASTRAZENECA AB (SE) 2004-11-02 US disclosed
EP-1242396-B1 NEW P2X 7 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF INFLAMMATORY, IMMUNE OR CARDIOVASCULAR DISEASES ASTRAZENECA AB (SE) 2003-09-24 EP disclosed
CN-1434811-A Novel P2X for use in the treatment of inflammatory, immune or cardiovascular diseases7Receptor antagonists ASTRAZENECA AB (SE) 2003-08-06 CN disclosed
US-20030040513-A1 P2x7 receptor antagonists for use in the treatment of inflammatory, immune or cardiovascular diseases ASTRAZENECA AB (SE) 2003-02-27 US disclosed
EP-1242396-A1 NEW P2X 7 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF INFLAMMATORY, IMMUNE OR CARDIOVASCULAR DISEASES AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001044213-A1 NEW P2X7 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF INFLAMMATORY, IMMUNE OR CARDIOVASCULAR DISEASES ASTRAZENECA AB (SE) 2001-06-21 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-20030040513-A1 P2x7 receptor antagonists for use in the treatment of inflammatory, immune or cardiovascular diseases P2RX1, P2RX2, P2RX3 VCAM1 299/4885MAPT 4664/4885ALDH1A1 2046/4885

“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.