SCHEMBL176935

SCHEMBL176935

COc1nn(C(=O)OC(C)(C)C)c2cc(OCCN(Cc3ccccc3)Cc3ccccc3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 6/20 0.43
MAOB P27338 5/20 0.42
NR1H3 Q13133 2/20 0.38
ATM Q13315 1/20 0.38
ABCB1 P08183 2/20 0.37
ABCC1 P33527 2/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
SLC2A1 P11166 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL177320 0.89 MAOB (0.43) HCRTR2MAOBATMABCB1ABCC1
SCHEMBL177355 0.89 HCRTR2 (0.47) HCRTR2MAOBNR1H3ATMABCB1
SCHEMBL2307921 0.88 MAOB (0.43) HCRTR2MAOBATMABCB1ABCC1
SCHEMBL2238968 0.87 MAOB (0.42) HCRTR2MAOBATMABCB1ABCC1
SCHEMBL177058 0.86 SRD5A2 (0.41) MAOB
SCHEMBL2239948 0.85 ATM (0.37) HCRTR2MAOBNR1H3ATMTSHR
SCHEMBL2239951 0.85 ATM (0.37) HCRTR2MAOBNR1H3ATMTSHR
SCHEMBL177357 0.84 KMT2A (0.48) ATM
SCHEMBL2239287 0.82 NR1H3 (0.35) HCRTR2MAOBNR1H3
SCHEMBL2239291 0.82 NR1H3 (0.35) HCRTR2MAOBNR1H3

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
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 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
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 HCRTR2 237/4885MAOB 605/4885NR1H3 83/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A HCRTR2 220/4885MAOB 411/4885NR1H3 76/4885

“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.