SCHEMBL177357

SCHEMBL177357

COc1nn(C(=O)OC(C)(C)C)c2cc(OCCNCc3ccccc3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 4/20 0.45
MITF O75030 1/20 0.45
GAA P10253 1/20 0.45
DRD4 P21917 5/20 0.44
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
PPARG P37231 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.40
P4HB P07237 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL177544 0.89 KMT2A (0.49) KMT2AKDM4EMITFGAADRD4
SCHEMBL177305 0.89 PPARG (0.48) KMT2AKDM4EMITFGAADRD4
SCHEMBL12090326 0.88 KMT2A (0.48) KMT2AKDM4EMITFGAADRD4
SCHEMBL2236887 0.87 KMT2A (0.48) KMT2AKDM4EMITFGAADRD4
SCHEMBL177058 0.86 SRD5A2 (0.41) PPARG
SCHEMBL176935 0.84 HCRTR2 (0.43) ATM
SCHEMBL12093619 0.82 PSEN1 (0.43) GAAMAPK1
SCHEMBL12355605 0.80 PPARG (0.52) KMT2AKDM4EDRD4DRD2DRD3
SCHEMBL177066 0.77 PPARG (0.50) KMT2AKDM4EMITFGAADRD4
SCHEMBL11898421 0.76 KMT2A (0.49) KMT2AKDM4EMITFGAADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 KMT2A 3898/4885KDM4E 4383/4885MITF 1561/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A KMT2A 4186/4885KDM4E 4623/4885MITF 1743/4885

“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.