SCHEMBL7012005

SCHEMBL7012005

COc1ccc(Cc2c(NC(C)C(C)(C)C)c(=O)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 5/20 0.47
▸ CHEK1 O14757 2/20 0.41
▸ CDC7 O00311 1/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ PRKX P51817 1/20 0.41
▸ CSNK1G2 P78368 1/20 0.41
▸ PRKCZ Q05513 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ PKN2 Q16513 1/20 0.41
▸ CDC42BPA Q5VT25 1/20 0.41
▸ PLK3 Q9H4B4 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ CSNK1G1 Q9HCP0 1/20 0.41

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
SCHEMBL7014918 0.76 PLK1 (0.50) PLK1CHEK1CDC7PLK4DAPK3
SCHEMBL10966990 0.72 LTA4H (0.57) GSK3AGSK3BERAP1ALDH1A1CYP2D6
SCHEMBL7922253 0.71 LTA4H (0.39) PLK1ALDH1A1CYP2D6ATMSAE1
SCHEMBL7537212 0.70 KDM4A (0.45) ERAP1ALDH1A1CYP2D6ATMLMNA
SCHEMBL31092472 0.69 ALDH1A1 (0.53) PLK1ALDH1A1CYP2D6LMNASMN1; SMN2
SCHEMBL7895179 0.68 PLK1 (0.53) PLK1CHEK1CDC7PLK4DAPK3
SCHEMBL7894756 0.64 PLK1 (0.48) PLK1CHEK1CDC7PLK4DAPK3
SCHEMBL25986524 0.64 LTA4H (0.81) ALDH1A1CYP2D6ATMSAE1UBA2
SCHEMBL27884 0.64 LTA4H (0.81) ALDH1A1CYP2D6ATMSAE1UBA2
SCHEMBL1425001 0.64 LTA4H (0.81) ALDH1A1CYP2D6ATMSAE1UBA2

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-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 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 3801/4885CHEK1 3635/4885CDC7 2405/4885

“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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