SCHEMBL176840

SCHEMBL176840

Cc1nn(C(=O)OC(C)(C)C)c2cc(O)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
HTR6 P50406 1/20 0.41
MAP2K4 P45985 1/20 0.38
ELANE P08246 2/20 0.37
SLC22A12 Q96S37 1/20 0.35
ESR1 P03372 3/20 0.35
FAAH O00519 1/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
NR1H2 P55055 1/20 0.34
EGFR P00533 1/20 0.33
KMO O15229 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NQO2 P16083 1/20 0.33
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32
PBRM1 Q86U86 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRA2 P47869 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
SCHEMBL19586922 0.89 HTR6 (0.46) ESR2HTR6MAP2K4ELANEFAAH
SCHEMBL7605898 0.87 ELANE (0.44) MAP2K4ELANESLC22A12FAAHGABRG2
SCHEMBL8212259 0.85 MAP2K4 (0.40) MAP2K4ELANESLC22A12GABRG2GABRB3
SCHEMBL13737806 0.85 PDGFRA (0.47) ESR2HTR6MAP2K4ESR1FAAH
SCHEMBL2304349 0.85 ESR2 (0.43) ESR2HTR6MAP2K4SLC22A12ESR1
SCHEMBL177566 0.85 ESR2 (0.40) ESR2HTR6MAP2K4ELANEESR1
SCHEMBL426350 0.85 NR1H2 (0.42) MAP2K4ELANESLC22A12NR1H2SMARCA2
SCHEMBL11232 0.85 PDGFRA (0.47) MAP2K4ELANESLC22A12
SCHEMBL177019 0.84 HTR6 (0.40) ESR2HTR6MAP2K4ESR1FAAH
SCHEMBL13794562 0.84 DYRK1A (0.44) MAP2K4ELANE

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 11 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-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 ESR2 1087/4885HTR6 255/4885MAP2K4 3474/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A ESR2 956/4885HTR6 401/4885MAP2K4 3268/4885

“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.