SCHEMBL6646346

SCHEMBL6646346

Cn1[nH]c(=O)c2c1NC1=C(C(=O)CC1)C2c1ccc2nonc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 11/20 0.49
ABCC8 Q09428 11/20 0.49
KCNJ11 Q14654 11/20 0.49
KCNJ8 Q15842 11/20 0.49
BRD4 O60885 1/20 0.44
BRDT Q58F21 1/20 0.44
KDM4E B2RXH2 6/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
MAPK1 P28482 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
SCHEMBL6645044 0.86 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8BRD4
SCHEMBL6643852 0.84 ABCC9 (0.38) ABCC9ABCC8KCNJ11KCNJ8BRD4
SCHEMBL6646407 0.82 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8BRD4
SCHEMBL6925775 0.81 ABCC9 (0.65) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6643734 0.81 BRD4 (0.47) ABCC9ABCC8KCNJ11KCNJ8BRD4
SCHEMBL6644997 0.79 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8BRD4
SCHEMBL6649863 0.79 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8BRD4
SCHEMBL4255000 0.78 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8BRD4
SCHEMBL6643759 0.78 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8BRD4
SCHEMBL6643887 0.78 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8

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 11 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 claimed
EP-1259510-B1 TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2004-06-02 EP claimed
US-20030171394-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers DRIZIN IRENE (US) 2003-09-11 US claimed
US-20020007059-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers ABBOTT LABORATORIES 2002-01-17 US claimed
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 741/4885ABCC8 700/4885KCNJ11 4/4885
US-20020007059-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers KCNJ2, KCNH1, KCNJ1 ABCC9 741/4885ABCC8 700/4885KCNJ11 4/4885

“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.