SCHEMBL2239948

SCHEMBL2239948

COc1nn(C(=O)OC(C)(C)C)c2cc(OCCN(Cc3ccccc3)CC(O)c3ccc(Cl)c(N)c3)ccc12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
NR1H3 Q13133 6/20 0.37
HCRTR2 O43614 5/20 0.36
MAOB P27338 1/20 0.33
BACE1 P56817 4/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL2239951 1.00 ATM (0.37) ATMNR1H3HCRTR2MAOBBACE1
SCHEMBL3337661 0.92 ATM (0.39) ATMNR1H3HCRTR2MAOBBACE1
SCHEMBL2306925 0.92 ATM (0.39) ATMNR1H3HCRTR2MAOBBACE1
SCHEMBL176720 0.92 ATM (0.38) ATMNR1H3HCRTR2MAOBBACE1
SCHEMBL2240547 0.92 ATM (0.38) ATMNR1H3HCRTR2MAOBBACE1
SCHEMBL177178 0.92 ATM (0.40) ATMNR1H3HCRTR2MAOBMEN1
SCHEMBL11897328 0.91 ATM (0.37) ATMNR1H3HCRTR2MAOBBACE1
SCHEMBL11897329 0.91 ATM (0.37) ATMNR1H3HCRTR2MAOBBACE1
SCHEMBL2239875 0.90 MCL1 (0.37) ATMNR1H3HCRTR2
SCHEMBL2239879 0.90 MCL1 (0.37) ATMNR1H3HCRTR2

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 4 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
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 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 ATM 1559/4885NR1H3 83/4885HCRTR2 237/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A ATM 2017/4885NR1H3 76/4885HCRTR2 220/4885

“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.