SCHEMBL2750488

SCHEMBL2750488

Cc1cc(C)cc(-c2c[c]ccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
ACHE P22303 1/20 0.35
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
IDO1 P14902 1/20 0.32
METAP2 P50579 1/20 0.32
BRD9 Q9H8M2 1/20 0.30
BRD7 Q9NPI1 1/20 0.30

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
SCHEMBL1532000 0.85 ACHE (0.44) ACHEIDO1METAP2
SCHEMBL610112 0.81 ALDH1A1 (0.33)
SCHEMBL147390 0.80 RAB9A (0.36) ACHEADORA2AADORA1METAP2
SCHEMBL9958076 0.80 MEN1 (0.39) ADORA2AADORA1IDO1METAP2
SCHEMBL3538404 0.80 TSHR (0.50) ACHEIDO1
SCHEMBL23927532 0.79 ADORA2A (0.38) ADORA2AADORA1
SCHEMBL1369576 0.79 CYP1A2 (0.32)
SCHEMBL21054111 0.79 CYP2A6 (0.46) IDO1METAP2
SCHEMBL17540621 0.78 DHODH (0.41)
SCHEMBL2449105 0.77 ALDH1A1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113248422-B Chiral alpha-aza-arene quaternary carbon center compound, and preparation method and application thereof 河南工业大学 2022-07-12 CN claimed
CN-113248422-A Chiral alpha-azaarene quaternary carbon center compound, and preparation method and application thereof 河南工业大学 2021-08-13 CN claimed
CN-113248422-B Chiral alpha-aza-arene quaternary carbon center compound, and preparation method and application thereof 河南工业大学 2022-07-12 CN disclosed
CN-113248422-A Chiral alpha-azaarene quaternary carbon center compound, and preparation method and application thereof 河南工业大学 2021-08-13 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 US disclosed
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (3 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 RXRA 143/4885RXRB 117/4885ACHE 4670/4885
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 RXRA 4567/4885RXRB 4758/4885ACHE 1528/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 RXRA 3505/4885RXRB 3867/4885ACHE 312/4885

“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.