SCHEMBL6645840

SCHEMBL6645840

Cn1[nH]c(=O)c2c1NC1=C(C(=O)C(C)(C)OC1)C2c1csc([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 6/20 0.38
KCNJ11 Q14654 6/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ8 Q15842 1/20 0.38
BRD4 O60885 4/20 0.34
BRDT Q58F21 4/20 0.34

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
SCHEMBL6647165 0.88 ABCC9 (0.39) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6643748 0.75 ABCC9 (0.55) ABCC9KCNJ11ABCC8KCNJ8BRD4
SCHEMBL6647356 0.73 ABCC9 (0.52) ABCC9KCNJ11ABCC8KCNJ8BRD4
SCHEMBL6644340 0.70 ABCC9 (0.43) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL5078202 0.66 ABCC9 (0.55) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6642739 0.65 BRD4 (0.45) BRD4BRDT
SCHEMBL7242435 0.61 ABCC9 (0.47) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6646511 0.61 ABCC9 (0.39) ABCC9KCNJ11ABCC8KCNJ8BRD4
SCHEMBL7241482 0.60 ABCC9 (0.74) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL5074892 0.59 ABCC9 (0.56) ABCC9KCNJ11ABCC8KCNJ8

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 7 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
EP-1259510-A2 TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-11-27 EP disclosed
US-20020007059-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers ABBOTT LABORATORIES 2002-01-17 US disclosed
WO-2001066544-A2 TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-09-13 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-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.