SCHEMBL176824

SCHEMBL176824

CCc1nn(Cc2ccccc2)c2cc(O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.53
SLC16A3 O15427 1/20 0.48
ESR1 P03372 4/20 0.44
PLA2G2A P14555 2/20 0.43
PDE5A O76074 3/20 0.42
ALOX15 P16050 1/20 0.42
CNR1 P21554 1/20 0.42
ACHE P22303 1/20 0.42
CNR2 P34972 1/20 0.42
KHK P50053 1/20 0.41

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
SCHEMBL176993 0.89 SLC16A3 (0.46) SLC22A12SLC16A3ESR1PLA2G2APDE5A
SCHEMBL7526015 0.83 SLC22A12 (0.50) SLC22A12SLC16A3PDE5AKHK
SCHEMBL177096 0.83 SLC22A12 (0.51) SLC22A12PLA2G2A
SCHEMBL8373357 0.82 SLC16A3 (0.58) SLC22A12SLC16A3PDE5AALOX15CNR1
SCHEMBL2550982 0.80 KHK (0.61) KHK
SCHEMBL176885 0.80 SLC22A12 (0.52) SLC22A12SLC16A3ESR1PLA2G2APDE5A
SCHEMBL4029316 0.77 ESR1 (0.67) ESR1PDE5AALOX15
SCHEMBL2305448 0.76 SLC22A12 (0.55) SLC22A12ESR1PLA2G2APDE5ACNR1
SCHEMBL2306802 0.74 SLC22A12 (0.50) SLC22A12PLA2G2ACNR1ACHECNR2
SCHEMBL8038414 0.73 AKR1B1 (0.53) SLC16A3PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102171192-A Indazole compounds ASAHI KASEI PHARMA CORP 2011-08-31 CN claimed
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 EP claimed
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
CN-102171192-A Indazole compounds ASAHI KASEI PHARMA CORP 2011-08-31 CN 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 SLC22A12 2079/4885SLC16A3 2417/4885ESR1 1355/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A SLC22A12 1721/4885SLC16A3 3584/4885ESR1 993/4885

“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.