SCHEMBL6986920

SCHEMBL6986920

CC(C)(C)C(NC(=O)CCc1cccnc1)Nc1c(Nc2cccnc2Cl)c(=O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
P2RX7 Q99572 3/20 0.41
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 1/20 0.37
NAMPT P43490 2/20 0.36
LMNA P02545 1/20 0.34
MMP14 P50281 1/20 0.34
POLB P06746 1/20 0.34
TBXAS1 P24557 2/20 0.34
PRCP P42785 1/20 0.34
MAPKAPK2 P49137 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL6987580 0.92 KMT2A (0.54) MEN1KMT2AP2RX7ALDH1A1CYP1A2
SCHEMBL6991611 0.85 ALDH1A1 (0.41) P2RX7ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6989669 0.81 CYP3A4 (0.45) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6986925 0.80 MEN1 (0.44) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL6984656 0.79 ALDH1A1 (0.43) MEN1KMT2AALDH1A1LMNA
SCHEMBL6986808 0.76 RAB9A (0.51) MEN1KMT2AP2RX7ALDH1A1LMNA
SCHEMBL4256399 0.76 POLB (0.42) MEN1KMT2AP2RX7ALDH1A1CYP1A2
SCHEMBL7559791 0.76 POLB (0.42) MEN1KMT2AP2RX7ALDH1A1CYP1A2
SCHEMBL4256402 0.76 POLB (0.42) MEN1KMT2AP2RX7ALDH1A1CYP1A2
SCHEMBL7092751 0.75 CYP3A4 (0.43) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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 10 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
US-20020147230-A1 Aminal Diones as potassium channel openers ABBOTT LABORATORIES 2002-10-10 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
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 MEN1 773/4885KMT2A 1875/4885P2RX7 782/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 MEN1 773/4885KMT2A 1875/4885P2RX7 782/4885

“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.