SCHEMBL3873779

SCHEMBL3873779

CCOC(=O)N1CCc2c(oc3c(OC)ccc(C(=O)O)c23)C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CCR5 P51681 1/20 0.35
KDM4E B2RXH2 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

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
SCHEMBL15016097 0.89 MAPT (0.38) MAPTLMNAALDH1A1CCR5KDM4E
SCHEMBL3867643 0.76 MAPT (0.38) MAPTLMNAALDH1A1CCR5CA1
SCHEMBL73099 0.72 PTGDR2 (0.44) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL73832 0.71 KMT2A (0.43) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL72465 0.71 PTGDR2 (0.45) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL73835 0.70 KMT2A (0.43) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL8402707 0.64 KIF11 (0.50) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL13335697 0.64 KIF11 (0.50) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL15086866 0.64 KIF11 (0.50) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL1751525 0.64 ALDH1A1 (0.48) KMT2AMEN1LMNAALDH1A1CA9

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 KMT2A 4703/4885MEN1 4624/4885MAPT 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.