SCHEMBL177199

SCHEMBL177199

CC(C)c1nn(C(=O)OC(C)(C)C)c2cc(O)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.39
ESR2 Q92731 1/20 0.39
MAP2K4 P45985 1/20 0.39
SLC22A12 Q96S37 1/20 0.33
ESR1 P03372 2/20 0.33
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
FAAH O00519 1/20 0.32
MAP1LC3B Q9GZQ8 1/20 0.32
MAP1LC3A Q9H492 1/20 0.32
ELANE P08246 1/20 0.32
EGFR P00533 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL12090389 0.87 MAP2K4 (0.39) MAP2K4SLC22A12GABRG2GABRB3GABRA5
SCHEMBL13718136 0.86 PDGFRA (0.44) MAP2K4SLC22A12ELANE
SCHEMBL176840 0.83 ESR2 (0.41) HTR6ESR2MAP2K4SLC22A12ESR1
SCHEMBL13737806 0.82 PDGFRA (0.47) HTR6ESR2MAP2K4ESR1GABRG2
SCHEMBL177566 0.82 ESR2 (0.40) HTR6ESR2MAP2K4ESR1GABRG2
SCHEMBL2304349 0.82 ESR2 (0.43) HTR6ESR2MAP2K4SLC22A12ESR1
SCHEMBL176815 0.81 SLC22A12 (0.39) SLC22A12ESR1EGFRALDH1A1HTT
SCHEMBL177019 0.81 HTR6 (0.40) HTR6ESR2MAP2K4ESR1GABRG2
SCHEMBL1513048 0.80 MAP2K4 (0.48) HTR6ESR2MAP2K4ESR1NPC1
SCHEMBL176821 0.80 MAP2K4 (0.43) HTR6ESR2MAP2K4ESR1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.