SCHEMBL4106108

SCHEMBL4106108

O=[N+]([O-])c1cccc2c1cnn2-c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ CYP1A2 P05177 2/20 0.49
▸ CYP17A1 P05093 1/20 0.49
▸ CCR1 P32246 11/20 0.46
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ MITF O75030 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NR3C1 P04150 2/20 0.40

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
SCHEMBL305477 0.87 FGFR1 (0.47) ALDH1A1LMNACYP1A2CYP17A1MAPT
SCHEMBL4573040 0.85 CCR1 (0.45) ALDH1A1LMNACYP1A2CYP17A1CCR1
SCHEMBL15797015 0.77 CYP1A2 (0.54) ALDH1A1LMNACYP1A2CYP17A1MAPT
SCHEMBL4555832 0.76 TDP1 (0.50) ALDH1A1LMNACYP1A2MAPTTDP1
SCHEMBL29687237 0.76 TDP1 (0.50) ALDH1A1LMNACYP1A2MAPTTDP1
SCHEMBL303982 0.76 CYP17A1 (0.56) CYP1A2CYP17A1CCR1CYP3A4NR3C1
SCHEMBL4113695 0.75 CYP17A1 (0.54) CYP1A2CYP17A1CCR1NR3C1
SCHEMBL441028 0.75 CYP1A2 (0.54) ALDH1A1CYP1A2CYP17A1CCR1L3MBTL1
SCHEMBL443587 0.75 CYP1A2 (0.54) CYP1A2CYP17A1CCR1NR3C1
SCHEMBL27939960 0.74 MAPT (0.41) ALDH1A1LMNACYP1A2MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124607-A1 Novel Bicyclic Sulfonamides for Use as Glucocorticoid Receptor Modulators in the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2009-05-14 — — US disclosed
CN-101291914-A Novel bicyclic sulfonamides for use as glucocorticoid receptor modulators in the treatment of inflammatory diseases ASTRAZENECA AB (SE) 2008-10-22 — — CN disclosed
US-20080227820-A1 CYCLIC PHENYL-SUBSTITUTED INDAZOLS, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AG (DE) 2008-09-18 — — US disclosed
EP-1940800-A1 NOVEL BICYCLIC SULFONAMIDES FOR USE AS GLUCOCORTICOID RECEPTOR MODULATORS IN THE TREATMENT OF INFLAMMATORY DISEASES Astra Zeneca AB (SE) 2008-07-09 — — EP disclosed
WO-2008055709-A1 INDAZOLE AND INDOLE DERIVATIVES AS ANTI -INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-15 — — WO disclosed
EP-1921068-A1 Indazole and indole derivatives as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2008-05-14 — — EP disclosed
WO-2008052808-A1 CYCLIC PHENYL-SUBSTITUTED INDAZOLS, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-08 — — WO disclosed
EP-1917963-A1 Cyclic phenyl-substituted indazols, a process for their production and their use as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2008-05-07 — — EP disclosed
WO-2007046747-A1 NOVEL BICYCLIC SULFONAMIDES FOR USE AS GLUCOCORTICOID RECEPTOR MODULATORS IN THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2007-04-26 — — 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-20090124607-A1 Novel Bicyclic Sulfonamides for Use as Glucocorticoid Receptor Modulators in the Treatment of Inflammatory Diseases NR3C1, NR3C2, MC2R ALDH1A1 2378/4885LMNA 4705/4885CYP1A2 579/4885
US-20080227820-A1 CYCLIC PHENYL-SUBSTITUTED INDAZOLS, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS PTGIS, PTGS1, PTGES ALDH1A1 238/4885LMNA 3950/4885CYP1A2 48/4885

“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.

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