Sugi Predict

Sugi Predict / Compounds / SCHEMBL7534843

SCHEMBL7534843

SCHEMBL7534843

CC(Nc1c(-c2ccc(C#N)cc2)c(=O)c1=O)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 2/20 0.54
▸ KCNJ11 Q14654 2/20 0.54
▸ ABCC8 Q09428 1/20 0.54
▸ KCNJ8 Q15842 1/20 0.54
▸ PLK1 P53350 8/20 0.44
▸ CHEK1 O14757 2/20 0.43
▸ CDC7 O00311 2/20 0.43
▸ PLK4 O00444 2/20 0.43
▸ DAPK3 O43293 2/20 0.43
▸ ROCK2 O75116 2/20 0.43
▸ CHEK2 O96017 2/20 0.43
▸ PIM1 P11309 2/20 0.43
▸ GSK3A P49840 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
▸ ROCK1 Q13464 2/20 0.43
▸ CDC42BPA Q5VT25 2/20 0.43
▸ PLK3 Q9H4B4 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 0.81 PLK1 (0.48) ABCC9KCNJ11ABCC8KCNJ8PLK1
SCHEMBL8372683 0.80 PLK1 (0.67) ABCC9KCNJ11ABCC8KCNJ8PLK1
SCHEMBL7347226 0.80 PLK1 (0.67) ABCC9KCNJ11ABCC8KCNJ8PLK1
SCHEMBL7013832 0.78 PLK1 (0.47) ABCC9KCNJ11ABCC8KCNJ8PLK1
SCHEMBL7014918 0.78 PLK1 (0.50) ABCC9KCNJ11ABCC8KCNJ8PLK1
SCHEMBL7886866 0.78 ABCC9 (0.58) ABCC9KCNJ11ABCC8KCNJ8PLK1
SCHEMBL7886860 0.78 ABCC9 (0.58) ABCC9KCNJ11ABCC8KCNJ8PLK1
SCHEMBL7894022 0.78 ABCC9 (0.58) ABCC9KCNJ11ABCC8KCNJ8PLK1
SCHEMBL8667527 0.77 ABCC9 (0.51) ABCC9KCNJ11ABCC8KCNJ8PLK1
SCHEMBL8664007 0.77 ABCC9 (0.54) ABCC9KCNJ11ABCC8KCNJ8PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376555-B1 MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION 2002-04-23 — — US 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
US-5512585-A MUSCLE RELAXANT AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-30 — — 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 ABCC9 1308/4885KCNJ11 30/4885ABCC8 812/4885

“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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