SCHEMBL177566

SCHEMBL177566

CC(C)(C)OC(=O)n1nc(I)c2ccc(O)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40
HTR6 P50406 1/20 0.40
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
MAP2K4 P45985 1/20 0.38
RORC P51449 1/20 0.35
ESR1 P03372 2/20 0.34
ROCK2 O75116 1/20 0.33
CHEK2 O96017 1/20 0.33
PRKACA P17612 1/20 0.33
RPS6KA3 P51812 1/20 0.33
PAK1 Q13153 1/20 0.33
ROCK1 Q13464 1/20 0.33
DYRK1A Q13627 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33
FAAH O00519 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRA3 P34903 1/20 0.33

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
SCHEMBL14739081 0.89 HTR6 (0.46) ESR2HTR6GABRG2GABRB3GABRA5
SCHEMBL22801661 0.85 ROCK2 (0.41) GABRG2GABRB3GABRA5MAP2K4RORC
SCHEMBL22801735 0.85 MAP2K4 (0.39) GABRG2GABRB3GABRA5MAP2K4RORC
SCHEMBL31026057 0.85 ROCK2 (0.41) GABRG2GABRB3GABRA5MAP2K4RORC
SCHEMBL18764614 0.85 PDGFRA (0.46) GABRG2GABRB3GABRA5MAP2K4RORC
SCHEMBL176840 0.85 ESR2 (0.41) ESR2HTR6GABRG2GABRB3GABRA5
SCHEMBL20488621 0.84 RORC (0.51) GABRG2GABRB3GABRA5MAP2K4RORC
SCHEMBL15578604 0.84 DYRK1A (0.39) GABRG2GABRB3GABRA5MAP2K4DYRK1A
SCHEMBL13737806 0.84 PDGFRA (0.47) ESR2HTR6GABRG2GABRB3GABRA5
SCHEMBL2304349 0.84 ESR2 (0.43) ESR2HTR6GABRG2GABRB3GABRA5

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-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
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 (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-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A ESR2 956/4885HTR6 401/4885GABRG2 2592/4885

“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.