SCHEMBL5017917

SCHEMBL5017917

COc1ccc2oc3ccc([N+](=O)[O-])cc3c2c1C(=O)Nc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 3/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 3/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RAF1 P04049 1/20 0.47
PTGS2 P35354 4/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45

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
SCHEMBL5026608 0.89 KMT2A (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4036023 0.85 PDE4A (0.57) POLBL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL5018011 0.84 ALDH1A1 (0.53) POLBL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL5016527 0.83 ALDH1A1 (0.53) POLBL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL6526531 0.78 PDE4D (0.55) POLBL3MBTL1MAPK1CYP3A4ALOX15
SCHEMBL4028222 0.75 MEN1 (0.53) POLBKMT2AMEN1ALDH1A1PKM
SCHEMBL4033553 0.75 SMN1; SMN2 (0.56) POLBKMT2AMEN1ALDH1A1MAPK1
SCHEMBL4030900 0.74 KMT2A (0.57) POLBKMT2AMEN1ALDH1A1PKM
SCHEMBL5025326 0.74 LMNA (0.55) POLBKMT2AMEN1ALDH1A1ALOX15
SCHEMBL5018084 0.72 NPC1 (0.62) POLBKMT2AALDH1A1SMN1; SMN2MAPT

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
US-20080146810-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2008-06-19 US disclosed
EP-1554262-B1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD (IN) 2007-12-05 EP disclosed
US-7238725-B2 Tricyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS LTD. (IN) 2007-07-03 US disclosed
US-20060178418-A1 Novel tricyclic compounds useful for the treatment of inflammatory and allergic disorders:process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS LTD. (IN) 2006-08-10 US 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 (2 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-20080146810-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LTC4S, TSLP, GPR119 POLB 4096/4885L3MBTL1 4821/4885KMT2A 3989/4885
US-20060178418-A1 Novel tricyclic compounds useful for the treatment of inflammatory and allergic disorders:process for their preparation and pharmaceutical compositions containing them LTC4S, TSLP, GPR119 POLB 4096/4885L3MBTL1 4821/4885KMT2A 3989/4885

“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.