SCHEMBL5539489

SCHEMBL5539489

O=C(O)c1ccc(OC(F)F)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
TDP1 Q9NUW8 2/20 0.52
TTR P02766 2/20 0.50
LMNA P02545 3/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AKR1B1 P15121 2/20 0.47
AKR1C4 P17516 2/20 0.47
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
AKR1C1 Q04828 2/20 0.47
POLB P06746 1/20 0.46
CCR6 P51684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PPOX P50336 1/20 0.46
CASP6 P55212 1/20 0.44
MASP2 O00187 1/20 0.42

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
SCHEMBL5539772 0.86 TTR (0.64) MAPTTDP1TTRLMNAHPGD
SCHEMBL5026669 0.84 TTR (0.51) MAPTTTRLMNAHPGDSMN1; SMN2
SCHEMBL5541561 0.81 KDM4E (0.46) MAPTLMNAHPGDNPSR1ALDH1A1
SCHEMBL5022771 0.81 ESRRA (0.49) MAPTTDP1TTRLMNAHPGD
SCHEMBL16098843 0.80 CASP6 (0.63) MAPTTTRLMNAHPGDMEN1
SCHEMBL5016429 0.80 MAPT (0.59) MAPTTDP1TTRLMNAHPGD
SCHEMBL5539496 0.79 LMNA (0.44) MAPTTDP1TTRLMNAHPGD
SCHEMBL10980033 0.79 MAPT (0.61) MAPTTDP1TTRLMNAHPGD
SCHEMBL10662277 0.78 LMNA (0.61) MAPTTDP1TTRLMNAHPGD
SCHEMBL31003858 0.78 CASP6 (0.63) TTRLMNACASP6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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 MAPT 783/4885TDP1 4379/4885TTR 1979/4885

“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.