Sugi Predict

Sugi Predict / Compounds / SCHEMBL6987485

SCHEMBL6987485

SCHEMBL6987485

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.38
▸ P2RX7 Q99572 2/20 0.38
▸ KCNJ11 Q14654 1/20 0.38
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ LMNA P02545 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HTT P42858 3/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.37
▸ ALOX12 P18054 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CTSV O60911 1/20 0.35
▸ CTSL P07711 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
SCHEMBL6984729 0.91 ALDH1A1 (0.42) P2RX7KMT2AMEN1LMNAMAPT
SCHEMBL6987149 0.89 MEN1 (0.41) HPGDP2RX7KCNJ11KMT2AMEN1
SCHEMBL6991631 0.88 MAPT (0.38) HPGDKMT2AMEN1LMNAMAPT
SCHEMBL6989585 0.83 LMNA (0.41) HPGDP2RX7KCNJ11KMT2AMEN1
SCHEMBL6989095 0.83 KMT2A (0.50) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL6983717 0.83 MAPKAPK2 (0.46) KCNJ11KMT2AMEN1LMNAMAPT
SCHEMBL6988616 0.81 ALDH1A1 (0.43) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL6988220 0.81 NPC1 (0.45) P2RX7KCNJ11KMT2AMEN1LMNA
SCHEMBL6990462 0.80 KMT2A (0.42) P2RX7KCNJ11KMT2AMEN1MAPT
SCHEMBL6988565 0.80 ABCC9 (0.44) KCNJ11KMT2AMEN1LMNAMAPT

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 HPGD 1359/4885P2RX7 782/4885KCNJ11 2/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 HPGD 1359/4885P2RX7 782/4885KCNJ11 2/4885

“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.