SCHEMBL176912

SCHEMBL176912

CCc1nn(C(=O)OC(C)(C)C)c2cc(O)ccc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.41
ESR2 Q92731 1/20 0.39
MAP2K4 P45985 1/20 0.36
ESR1 P03372 4/20 0.36
SLC22A12 Q96S37 4/20 0.35
FAAH O00519 1/20 0.35
EGFR P00533 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ELANE P08246 1/20 0.33
NQO2 P16083 1/20 0.33
GPR4 P46093 1/20 0.33
ROCK2 O75116 1/20 0.32
CHEK2 O96017 1/20 0.32
PRKACA P17612 1/20 0.32
RPS6KA3 P51812 1/20 0.32
PAK1 Q13153 1/20 0.32
ROCK1 Q13464 1/20 0.32
DYRK1A Q13627 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32

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
SCHEMBL12090349 0.87 SLC22A12 (0.37) MAP2K4SLC22A12FAAHL3MBTL1ELANE
SCHEMBL10967 0.86 PDGFRA (0.44) MAP2K4SLC22A12FAAHELANE
SCHEMBL12181193 0.83 L3MBTL1 (0.45) MAP2K4L3MBTL1ELANE
SCHEMBL176840 0.83 ESR2 (0.41) HTR6ESR2MAP2K4ESR1SLC22A12
SCHEMBL2237154 0.83 HTR6 (0.43) HTR6ESR2MAP2K4FAAHEGFR
SCHEMBL177566 0.82 ESR2 (0.40) HTR6ESR2MAP2K4ESR1FAAH
SCHEMBL13737806 0.82 PDGFRA (0.47) HTR6ESR2MAP2K4ESR1FAAH
SCHEMBL2304349 0.82 ESR2 (0.43) HTR6ESR2MAP2K4ESR1SLC22A12
SCHEMBL11897154 0.81 SLC22A12 (0.41) ESR2ESR1SLC22A12
SCHEMBL177019 0.81 HTR6 (0.40) HTR6ESR2MAP2K4ESR1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 EP claimed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US claimed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
EP-2484668-A1 INDAZOLE ANALOGUE Asahi Kasei Pharma Corporation (JP) 2012-08-08 EP disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 EP disclosed
WO-2011040510-A1 INDAZOLE ANALOGUE 旭化成ファーマ株式会社 (JP) 2011-04-07 WO disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US disclosed
WO-2010041569-A1 INDAZOLE COMPOUND 旭化成ファーマ株式会社 (JP) 2010-04-15 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-20120225909-A1 INDAZOLE ANALOG ADRB3, ADRB1, ADRB2 HTR6 255/4885ESR2 1087/4885MAP2K4 3474/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A HTR6 401/4885ESR2 956/4885MAP2K4 3268/4885

“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.