SCHEMBL3873773

SCHEMBL3873773

CCOC(=O)N1Cc2oc3c(OC)ccc(C(=O)O)c3c2C(c2ccccc2[N+](=O)[O-])C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
MTOR P42345 1/20 0.34
LMNA P02545 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL15016096 0.90 LMNA (0.33) KDM4EKMT2AALDH1A1MAPTRAB9A
SCHEMBL73099 0.73 PTGDR2 (0.44) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL72465 0.72 PTGDR2 (0.45) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL73832 0.65 KMT2A (0.43) KDM4EKMT2AALDH1A1MAPTRAB9A
SCHEMBL73835 0.64 KMT2A (0.43) KDM4EKMT2AALDH1A1MAPTRAB9A
SCHEMBL3873779 0.63 KMT2A (0.37) KDM4EKMT2AALDH1A1MAPTMEN1
SCHEMBL15016073 0.62 EIF4E (0.41) KDM4EKMT2AALDH1A1MAPTRAB9A
SCHEMBL73346 0.62 EIF4E (0.43) KMT2AALDH1A1MAPTRAB9AMEN1
SCHEMBL73054 0.61 PTGDR2 (0.42) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL73058 0.61 ADORA1 (0.43) KDM4EMAPT

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 KDM4E 2531/4885KMT2A 4703/4885ALDH1A1 1591/4885

“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.