SCHEMBL176885

SCHEMBL176885

CC(C)c1nn(Cc2ccccc2)c2cc(O)ccc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.52
PLA2G2A P14555 1/20 0.42
PDE5A O76074 7/20 0.41
CNR1 P21554 2/20 0.41
ACHE P22303 2/20 0.41
CNR2 P34972 2/20 0.41
ESR1 P03372 4/20 0.40
S1PR3 Q99500 1/20 0.40
SLC16A3 O15427 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL26137617 0.85 SLC22A12 (0.50) SLC22A12PDE5ACNR1ACHECNR2
SCHEMBL13777322 0.83 CNR1 (0.54) SLC22A12PDE5ACNR1ACHECNR2
SCHEMBL177096 0.82 SLC22A12 (0.51) SLC22A12PLA2G2A
SCHEMBL21649244 0.82 SLC22A12 (0.47) SLC22A12PDE5ACNR1ACHECNR2
SCHEMBL176824 0.80 SLC22A12 (0.53) SLC22A12PLA2G2APDE5ACNR1ACHE
SCHEMBL176993 0.77 SLC16A3 (0.46) SLC22A12PLA2G2APDE5ACNR1ACHE
SCHEMBL4029316 0.76 ESR1 (0.67) PDE5AESR1ALDH1A1MAPT
SCHEMBL2305448 0.75 SLC22A12 (0.55) SLC22A12PLA2G2APDE5ACNR1ACHE
SCHEMBL3426834 0.74 PDE5A (0.52) PDE5ACNR1ACHECNR2SLC16A3
SCHEMBL177177 0.74 SLC22A12 (0.48) SLC22A12PLA2G2APDE5AS1PR3ALDH1A1

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 16 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
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
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 2079/4885PLA2G2A 4653/4885PDE5A 455/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A SLC22A12 1721/4885PLA2G2A 3489/4885PDE5A 666/4885

“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.