SCHEMBL176815

SCHEMBL176815

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.39
ESR1 P03372 5/20 0.37
HTR3A P46098 1/20 0.34
MEN1 O00255 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
KMT2A Q03164 2/20 0.33
PTGER1 P34995 1/20 0.33
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
CASR P41180 1/20 0.33
PDGFRA P16234 1/20 0.33
CDK5 Q00535 1/20 0.33
TYRO3 Q06418 1/20 0.33
PLA2G2A P14555 1/20 0.32
HTT P42858 1/20 0.32
HTR1A P08908 2/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 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
SCHEMBL177199 0.81 HTR6 (0.39) SLC22A12ESR1HTR3AEGFRHTT
SCHEMBL176951 0.80 ELANE (0.42) SLC22A12ESR1PLA2G2AHTT
SCHEMBL11897866 0.76 ESR1 (0.38) SLC22A12ESR1MEN1CYP1A2CYP3A4
SCHEMBL11897091 0.76 ESR1 (0.37) ESR1CYP1A2CYP3A4PTGER1EGFR
SCHEMBL11897154 0.76 SLC22A12 (0.41) SLC22A12ESR1
SCHEMBL176913 0.74 ELANE (0.41) ESR1PTGER1CYP2C9
SCHEMBL2305653 0.72 HTR3A (0.32) ESR1HTR3APTGER1
SCHEMBL176885 0.71 SLC22A12 (0.52) SLC22A12ESR1PLA2G2APDE5AALDH1A1
SCHEMBL23782985 0.70 GAA (0.42) MEN1CYP1A2CYP3A4KMT2APLA2G2A
SCHEMBL2306782 0.70 HTR3A (0.39) SLC22A12ESR1HTR3APTGER1PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 EP claimed
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
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 EP 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 (1 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 2079/4885ESR1 1355/4885HTR3A 13/4885

“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.