SCHEMBL7014918

SCHEMBL7014918

COc1ccc(-c2c(NC(C)C(C)(C)C)c(=O)c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 12/20 0.50
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ CHEK1 O14757 3/20 0.43
▸ PLK4 O00444 3/20 0.43
▸ DAPK3 O43293 3/20 0.43
▸ ROCK2 O75116 3/20 0.43
▸ CHEK2 O96017 3/20 0.43
▸ PIM1 P11309 3/20 0.43
▸ GSK3A P49840 3/20 0.43
▸ ROCK1 Q13464 3/20 0.43
▸ CDC42BPA Q5VT25 3/20 0.43
▸ PLK3 Q9H4B4 3/20 0.43
▸ CDC7 O00311 2/20 0.43
▸ GSK3B P49841 2/20 0.43
▸ PRKX P51817 2/20 0.43
▸ CSNK1G2 P78368 2/20 0.43
▸ PRKCZ Q05513 2/20 0.43
▸ CLK4 Q9HAZ1 2/20 0.43

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
SCHEMBL7537121 0.82 PLK1 (0.48) PLK1KMT2AMEN1POLBCHEK1
SCHEMBL7009588 0.80 ALDH1A1 (0.57) PLK1KMT2AMEN1POLBROCK2
SCHEMBL7689885 0.80 ALDH1A1 (0.57) PLK1KMT2AMEN1POLBROCK2
SCHEMBL7013832 0.79 PLK1 (0.47) PLK1CHEK1PLK4DAPK3ROCK2
SCHEMBL7534843 0.78 ABCC9 (0.54) PLK1CHEK1PLK4DAPK3ROCK2
SCHEMBL7012005 0.76 PLK1 (0.47) PLK1KMT2AMEN1POLBCHEK1
SCHEMBL7534311 0.75 MEN1 (0.59) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL7534781 0.73 KMT2A (0.54) PLK1KMT2AMEN1POLBKDM4E
SCHEMBL31092472 0.72 ALDH1A1 (0.53) PLK1KMT2AMEN1POLBKDM4E
SCHEMBL1925983 0.70 PLK1 (0.94) PLK1CHEK1PLK4DAPK3ROCK2

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
JP-2003529532-A — — 2003-10-07 — — JP claimed
US-20020177613-A1 4-substituted-3-substituted-amino-cyclobut-3-ene-1,2-diones and analogs thereof as novel potassium channel openers AMERICAN HOME PRODUCTS CORPORATION (US) 2002-11-28 — — US claimed
US-6376555-B1 MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION 2002-04-23 — — US claimed
EP-1135365-A1 4-3-SUBSTITUTED-AMINO-CYCLOBUT-3-ENE-1,2-DIONES AND USE FOR INFLUENCING SMOOTH MUSCLE CONTRACTION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-09-26 — — EP claimed
WO-2000034230-A1 4-3-SUBSTITUTED-AMINO-CYCLOBUT-3-ENE-1,2-DIONES AND USE FOR INFLUENCING SMOOTH MUSCLE CONTRACTION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 — — WO claimed
US-20020177613-A1 4-substituted-3-substituted-amino-cyclobut-3-ene-1,2-diones and analogs thereof as novel potassium channel openers AMERICAN HOME PRODUCTS CORPORATION (US) 2002-11-28 — — US disclosed
US-6465523-B1 TREATMENT OF SMOOTH MUSCLE CONTRACTION DISORDERS SUCH AS URINARY INCONTINENCE, ASTHMA, PREMATURE LABOR, IRRITABLE BOWEL SYNDROME, CONGESTIVE HEART FAILURE, ANGINA, CEREBRAL VASCULAR DISEASE AMERICAN HOME PRODUCTS 2002-10-15 — — US disclosed
US-6462059-B1 TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION; URINARY INCONTINENCE, ASTHMA, PREMATURE LABOR, IRRITABLE BOWEL SYNDROME, CONGESTIVE HEART FAILURE, ANGINA, AND CEREBRAL VASCULAR DISEASE AMERICAN HOME PRODUCTS 2002-10-08 — — US disclosed
US-6376555-B1 MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION 2002-04-23 — — 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 (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-20020177613-A1 4-substituted-3-substituted-amino-cyclobut-3-ene-1,2-diones and analogs thereof as novel potassium channel openers KCNN3, KCNJ2, KCNE1 PLK1 3801/4885KMT2A 584/4885MEN1 2365/4885

“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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