SCHEMBL176720

SCHEMBL176720

Cc1nn(C(=O)OC(C)(C)C)c2cc(OCCN(Cc3ccccc3)C[C@H](O)c3ccc(Cl)c(N)c3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
NR1H3 Q13133 3/20 0.35
SLC22A12 Q96S37 2/20 0.34
HCRTR2 O43614 3/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MDM2 Q00987 1/20 0.32
BACE1 P56817 3/20 0.32
KCNH2 Q12809 1/20 0.32
PLA2G2A P14555 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
DRD4 P21917 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
SCHEMBL2240547 1.00 ATM (0.38) ATMNR1H3SLC22A12HCRTR2MAOB
SCHEMBL3337661 0.94 ATM (0.39) ATMNR1H3HCRTR2MAOBMEN1
SCHEMBL2306925 0.94 ATM (0.39) ATMNR1H3HCRTR2MAOBMEN1
SCHEMBL11897329 0.92 ATM (0.37) ATMNR1H3HCRTR2MAOBMEN1
SCHEMBL11897328 0.92 ATM (0.37) ATMNR1H3HCRTR2MAOBMEN1
SCHEMBL2239951 0.92 ATM (0.37) ATMNR1H3HCRTR2MAOBMEN1
SCHEMBL2239948 0.92 ATM (0.37) ATMNR1H3HCRTR2MAOBMEN1
SCHEMBL177335 0.91 ATM (0.41) ATMNR1H3SLC22A12HCRTR2MAOB
SCHEMBL2245225 0.89 MCL1 (0.38) ATM
SCHEMBL2245229 0.89 MCL1 (0.38) ATM

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 9 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-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 ATM 1559/4885NR1H3 83/4885SLC22A12 2079/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A ATM 2017/4885NR1H3 76/4885SLC22A12 1721/4885

“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.