Sugi Predict

Sugi Predict / Compounds / SCHEMBL6988616

SCHEMBL6988616

SCHEMBL6988616

CC(C)(Cc1ccccc1)C(NC(=O)c1cccc(Cl)c1)Nc1c(Nc2cnccc2C(F)(F)F)c(=O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPKAPK2 P49137 1/20 0.38
▸ PTK2 Q05397 1/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ MAPT P10636 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ LMNA P02545 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ ALOX12 P18054 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ GPR132 Q9UNW8 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL6989259 0.89 ALDH1A1 (0.46) ALDH1A1MAPKAPK2CYP3A4CYP2C9CYP2C19
SCHEMBL6991631 0.87 MAPT (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL6983717 0.85 MAPKAPK2 (0.46) ALDH1A1MAPKAPK2CYP3A4CYP2C9CYP2C19
SCHEMBL6988565 0.82 ABCC9 (0.44) ALDH1A1MAPKAPK2CYP3A4CYP2C9CYP2C19
SCHEMBL6987485 0.81 HPGD (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL7545207 0.80 ABCC9 (0.43) ALDH1A1MAPKAPK2CYP3A4CYP2C9CYP2C19
SCHEMBL6989499 0.78 MAPKAPK2 (0.45) ALDH1A1MAPKAPK2CYP3A4CYP2C9CYP2C19
SCHEMBL6989095 0.77 KMT2A (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL6989585 0.77 LMNA (0.41) ALDH1A1MAPKAPK2CYP3A4CYP2C9CYP2C19
SCHEMBL6985065 0.76 CYP3A4 (0.49) ALDH1A1MAPKAPK2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 — — EP disclosed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 — — US disclosed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 — — US disclosed
US-20020147230-A1 Aminal Diones as potassium channel openers ABBOTT LABORATORIES 2002-10-10 — — US disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 — — WO 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 (2 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-20020147230-A1 Aminal Diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 ALDH1A1 132/4885MAPKAPK2 2283/4885PTK2 3666/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 ALDH1A1 132/4885MAPKAPK2 2283/4885PTK2 3666/4885

“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.