SCHEMBL3872959

SCHEMBL3872959

O=C(O)c1ccc(OC(F)F)c2oc3c(=O)n(C4CCCC4)nc(-c4ccc([N+](=O)[O-])cc4)c3c12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CMKLR1 Q99788 1/20 0.37
BTK Q06187 4/20 0.32
EGFR P00533 3/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
XBP1 P17861 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
CCR6 P51684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
F2 P00734 1/20 0.31
CNR1 P21554 2/20 0.30
CNR2 P34972 2/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3881303 0.83 PDE4A (0.37) MAPTMEN1KMT2ALMNAGAA
SCHEMBL3869564 0.82 PTGS2 (0.38) MAPTMEN1KMT2ALMNAGAA
SCHEMBL3869561 0.82 PTGS2 (0.38) MAPTMEN1KMT2ALMNAGAA
SCHEMBL3878942 0.80 EIF4A1 (0.33) MAPTMEN1KMT2ALMNAGAA
SCHEMBL72926 0.75 PDE4D (0.37) CNR1CNR2
SCHEMBL4573803 0.75 PDE4D (0.39) BTKMAPTMEN1KMT2ALMNA
SCHEMBL3872957 0.75 MAPT (0.35) CMKLR1MAPTMEN1KMT2ALMNA
SCHEMBL1301737 0.67 MAOA (0.43) MAPTMEN1KMT2ALMNAGAA
SCHEMBL16611196 0.65 CMKLR1 (0.41) CMKLR1EGFRMAPTMEN1KMT2A
SCHEMBL3873741 0.65 PDE4B (0.36) MAPTKMT2ALMNANPSR1ALDH1A1

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 CMKLR1 1718/4885BTK 909/4885EGFR 2369/4885

“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.