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.

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