SCHEMBL177305

SCHEMBL177305

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.48
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 4/20 0.47
LMNA P02545 1/20 0.47
DRD4 P21917 5/20 0.46
DRD2 P14416 3/20 0.46
DRD3 P35462 3/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
MITF O75030 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43
ATM Q13315 1/20 0.43
P4HB P07237 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL177357 0.89 KMT2A (0.48) PPARGKMT2AKDM4ELMNADRD4
SCHEMBL177066 0.88 PPARG (0.50) PPARGKMT2AKDM4ELMNADRD4
SCHEMBL12355605 0.85 PPARG (0.52) PPARGKMT2AKDM4ELMNADRD4
SCHEMBL177448 0.84 SRD5A2 (0.46) PPARG
SCHEMBL11897041 0.84 PPARG (0.48) PPARGKMT2AKDM4ELMNADRD4
SCHEMBL11898421 0.82 KMT2A (0.49) PPARGKMT2AKDM4ELMNADRD4
SCHEMBL177355 0.82 HCRTR2 (0.47) ATM
SCHEMBL11898419 0.79 KMT2A (0.49) PPARGKMT2AKDM4ELMNADRD4
SCHEMBL177544 0.77 KMT2A (0.49) PPARGKMT2AKDM4ELMNADRD4
SCHEMBL12090326 0.76 KMT2A (0.48) PPARGKMT2AKDM4ELMNADRD4

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 3 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
EP-2484668-A1 INDAZOLE ANALOGUE Asahi Kasei Pharma Corporation (JP) 2012-08-08 EP disclosed
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 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 (1 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 PPARG 671/4885KMT2A 3898/4885KDM4E 4383/4885

“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.