SCHEMBL6984729

SCHEMBL6984729

COc1ncccc1Nc1c(NC(NC(=O)c2cccc(C)c2)C(C)(C)Cc2ccccc2)c(=O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CTSL P07711 3/20 0.37
CTSS P25774 3/20 0.37
CTSK P43235 1/20 0.37
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL6987485 0.91 HPGD (0.38) ALDH1A1GAAMAPTHTTL3MBTL1
SCHEMBL6990462 0.89 KMT2A (0.42) ALDH1A1GAAMAPTHTTL3MBTL1
SCHEMBL6989095 0.89 KMT2A (0.50) ALDH1A1GAAMAPTHTTL3MBTL1
SCHEMBL6985065 0.83 CYP3A4 (0.49) ALDH1A1GAAMAPTHTTL3MBTL1
SCHEMBL6989585 0.80 LMNA (0.41) ALDH1A1KMT2ANPC1RAB9ACYP3A4
SCHEMBL6987149 0.80 MEN1 (0.41) ALDH1A1GAAMAPTHTTL3MBTL1
SCHEMBL7161076 0.79 CYP1A2 (0.49) ALDH1A1MAPTKMT2ACTSLCTSS
SCHEMBL6991631 0.79 MAPT (0.38) ALDH1A1GAAMAPTHTTL3MBTL1
SCHEMBL6985145 0.77 KMT2A (0.56) ALDH1A1GAAMAPTHTTL3MBTL1
SCHEMBL6988220 0.76 NPC1 (0.45) ALDH1A1GAAMAPTHTTL3MBTL1

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 8 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 claimed
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 claimed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US claimed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO claimed
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
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 (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-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 ALDH1A1 132/4885GAA 2105/4885MAPT 3949/4885

“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.