SCHEMBL4573040

SCHEMBL4573040

O=[N+]([O-])c1cccc2c1cnn2-c1ccc(F)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.45
▸ NR3C1 P04150 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ MITF O75030 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NCOA1 Q15788 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NOS1 P29475 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ CYP17A1 P05093 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL4106108 0.85 ALDH1A1 (0.54) CCR1NR3C1ALDH1A1LMNATDP1
SCHEMBL305477 0.81 FGFR1 (0.47) ALDH1A1LMNATDP1CYP3A4CYP2C9
SCHEMBL443252 0.77 CCR1 (0.46) CCR1NR3C1CYP3A4CYP2C9CYP1A2
SCHEMBL441916 0.77 CCR1 (0.46) CCR1NR3C1CYP3A4CYP2C9CYP1A2
SCHEMBL4572945 0.77 MKNK1 (0.47) CCR1NR3C1CYP3A4CYP2C9CYP1A2
SCHEMBL1255335 0.75 CCR1 (0.58) CCR1NR3C1
SCHEMBL19533517 0.73 PIN1 (0.42) ALDH1A1LMNATDP1CYP3A4CYP2C9
SCHEMBL4555832 0.73 TDP1 (0.50) ALDH1A1LMNATDP1CYP3A4CYP2C9
SCHEMBL29687237 0.73 TDP1 (0.50) ALDH1A1LMNATDP1CYP3A4CYP2C9
SCHEMBL15797015 0.71 CYP1A2 (0.54) ALDH1A1LMNATDP1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20080188666-A1 LINEAR PHENYL-SUBSTITUTED INDAZOLES AND INDOLES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRAZENECA AB (SE) 2008-08-07 — — US disclosed
WO-2008055710-A1 INDOLE AND INDAZOLE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2008-05-15 — — WO 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
EP-1921067-A1 Indole and indazole 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

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-20080227820-A1 CYCLIC PHENYL-SUBSTITUTED INDAZOLS, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS PTGIS, PTGS1, PTGES CCR1 347/4885NR3C1 865/4885ALDH1A1 238/4885
US-20080188666-A1 LINEAR PHENYL-SUBSTITUTED INDAZOLES AND INDOLES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS IDO1, IL1B, IDO2 CCR1 755/4885NR3C1 1243/4885ALDH1A1 259/4885

“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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