SCHEMBL5025322

SCHEMBL5025322

COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c2c3cccc(Cl)c3n(CC3CCCCC3)c12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
CNR1 P21554 10/20 0.38
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPN7 P35236 1/20 0.37
PTPN12 Q05209 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.37
CNR2 P34972 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL5022662 0.85 PLA2G2A (0.41) ARCNR1MAPTALDH1A1KDM4E
SCHEMBL5022790 0.85 CNR1 (0.44) CNR1ALDH1A1HPGDCNR2KMT2A
SCHEMBL5016360 0.83 MAPT (0.40) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5022760 0.82 CNR1 (0.44) CNR1CNR2
SCHEMBL5025323 0.77 AR (0.41) ARCNR1ALDH1A1SMN1; SMN2
SCHEMBL5022381 0.75 PDE4D (0.53)
SCHEMBL5022811 0.75 MAPT (0.45) ARMAPTALDH1A1KDM4EHPGD
SCHEMBL5022314 0.73 P2RX4 (0.44) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5026569 0.72 MAPT (0.47) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5026662 0.72 PIK3R1 (0.45) ARMAPTALDH1A1KDM4EHPGD

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 6 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
EP-1554262-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Glenmark Pharmaceuticals Limited (IN) 2005-07-20 EP disclosed
WO-2004037805-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. (US) 2004-05-06 WO 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 AR 1203/4885CNR1 33/4885MAPT 783/4885
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 AR 1203/4885CNR1 33/4885MAPT 783/4885

“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.