SCHEMBL6986478

SCHEMBL6986478

CC(C)(C)C(NC(=O)c1cccc(F)c1)Nc1c(Nc2cccnc2Cl)c(=O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
USP2 O75604 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
POLB P06746 2/20 0.38
KCNQ3 O43525 2/20 0.38
KCNQ2 O43526 2/20 0.38
KCNQ5 Q9NR82 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
KCNJ11 Q14654 2/20 0.37
ABCC9 O60706 1/20 0.37
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36

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
SCHEMBL6983497 0.93 POLB (0.41) KMT2ACYP1A2CYP3A4RAB9ANPC1
SCHEMBL6983246 0.91 KMT2A (0.44) KMT2ACYP1A2CYP3A4RAB9ANPC1
SCHEMBL6985145 0.90 KMT2A (0.56) KMT2ACYP1A2CYP3A4RAB9ANPC1
SCHEMBL6984373 0.89 KMT2A (0.43) KMT2ACYP1A2CYP3A4RAB9ANPC1
SCHEMBL7559791 0.87 POLB (0.42) KMT2ACYP1A2CYP3A4RAB9ANPC1
SCHEMBL4256402 0.87 POLB (0.42) KMT2ACYP1A2CYP3A4RAB9ANPC1
SCHEMBL4256399 0.87 POLB (0.42) KMT2ACYP1A2CYP3A4RAB9ANPC1
SCHEMBL6986808 0.85 RAB9A (0.51) KMT2ARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6989909 0.83 KMT2A (0.41) KMT2ACYP1A2CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL6989333 0.82 CXCR2 (0.39) KMT2ACYP1A2CYP3A4ALDH1A1SMN1; SMN2

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 8 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
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
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 (1 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-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 KMT2A 1875/4885USP2 4753/4885CYP1A2 688/4885

“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.