Sugi Predict

Sugi Predict / Compounds / SCHEMBL6644385

SCHEMBL6644385

SCHEMBL6644385

Cc1ccc(C2C3=C(CC(C)(C)C3=O)Nc3c2c(=O)[nH]n3C)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 12/20 0.39
▸ KCNJ11 Q14654 12/20 0.39
▸ ABCC8 Q09428 5/20 0.37
▸ KCNJ8 Q15842 5/20 0.37
▸ HPGD P15428 5/20 0.34
▸ HSD17B10 Q99714 5/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ CASP1 P29466 3/20 0.34
▸ CASP7 P55210 3/20 0.34
▸ USP2 O75604 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ RUNX1 Q01196 1/20 0.33
▸ CBFB Q13951 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ BRDT Q58F21 1/20 0.33

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
SCHEMBL6647318 0.89 ABCC9 (0.52) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6643277 0.88 ABCC9 (0.37) ABCC9KCNJ11ABCC8KCNJ8HPGD
SCHEMBL6643748 0.87 ABCC9 (0.55) ABCC9KCNJ11ABCC8KCNJ8BRD4
SCHEMBL6646511 0.87 ABCC9 (0.39) ABCC9KCNJ11ABCC8KCNJ8HPGD
SCHEMBL6644997 0.83 ABCC9 (0.49) ABCC9KCNJ11ABCC8KCNJ8BRD4
SCHEMBL6646732 0.83 HPGD (0.36) ABCC9KCNJ11ABCC8KCNJ8HPGD
SCHEMBL6642739 0.82 BRD4 (0.45) HPGDHSD17B10ALDH1A1KDM4ECASP1
SCHEMBL6849040 0.81 ABCC9 (0.39) ABCC9KCNJ11ABCC8KCNJ8HPGD
SCHEMBL6646024 0.80 ABCC9 (0.38) ABCC9KCNJ11ABCC8KCNJ8HPGD
SCHEMBL6643852 0.80 ABCC9 (0.38) ABCC9KCNJ11ABCC8KCNJ8HPGD

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
US-6780872-B2 ASTHMA; ANTIEPILEPTIC AGENTS; SEXUAL DISORDERS ABBOTT LABORATORIES 2004-08-24 — — US disclosed
EP-1259510-B1 TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2004-06-02 — — EP disclosed
US-20030171394-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers DRIZIN IRENE (US) 2003-09-11 — — US disclosed
US-6538004-B2 Potassium channel modulators relax smooth muscle cells and inhibit bladder contractions; treating nervous, eating, cardiovascular, gastrointestinal, and sexual disorders ABBOTT LABORATORIES 2003-03-25 — — US disclosed
US-20020007059-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers ABBOTT LABORATORIES 2002-01-17 — — 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 (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-20030171394-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers KCNJ2, KCNH1, KCNJ1 ABCC9 741/4885KCNJ11 4/4885ABCC8 700/4885
US-20020007059-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers KCNJ2, KCNH1, KCNJ1 ABCC9 741/4885KCNJ11 4/4885ABCC8 700/4885

“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.