SCHEMBL3869561

SCHEMBL3869561

O=C(O)c1ccc(OC(F)F)c2oc3c(=O)n(-c4ccc([N+](=O)[O-])cc4)nc(-c4ccc(Cl)cc4)c3c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.38
AURKA O14965 1/20 0.38
MAPT P10636 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
XBP1 P17861 1/20 0.35
RAB9A P51151 1/20 0.35
CCR6 P51684 1/20 0.35
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NLRP3 Q96P20 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 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
SCHEMBL3869564 1.00 PTGS2 (0.38) PTGS2AURKAMAPTMEN1KMT2A
SCHEMBL3881303 0.85 PDE4A (0.37) AURKAMAPTMEN1KMT2AGAA
SCHEMBL3878942 0.83 EIF4A1 (0.33) MAPTMEN1KMT2AGAAHTT
SCHEMBL3872959 0.82 CMKLR1 (0.37) MAPTMEN1KMT2AGAAHTT
SCHEMBL4573803 0.76 PDE4D (0.39) AURKAMAPTMEN1KMT2AGAA
SCHEMBL75050 0.75 PDE4D (0.41) MAPTMEN1KMT2AGAAHTT
SCHEMBL73172 0.75 ACHE (0.41) MAPTMEN1KMT2AGAAHTT
SCHEMBL1301737 0.67 MAOA (0.43) MAPTMEN1KMT2AGAAHTT
SCHEMBL3867667 0.67 MAPT (0.34) MAPT
SCHEMBL75082 0.64 ALDH1A1 (0.44) MAPTMEN1KMT2AGAAHTT

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
EP-1831227-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS SA (CH) 2013-06-19 EP claimed
US-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-10 US claimed
EP-1831227-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS Glenmark Pharmaceuticals S.A. (CH) 2007-09-12 EP claimed
WO-2006064355-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS S.A. (US) 2006-06-22 WO claimed

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-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PTGER4, NOX4, PDE4A PTGS2 51/4885AURKA 3187/4885MAPT 1092/4885

“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.