SCHEMBL6990462

SCHEMBL6990462

COc1ncccc1Nc1c(NC(NC(=O)c2cccc(C)c2)C(C)(C)C)c(=O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
MAPKAPK2 P49137 2/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
P2RX7 Q99572 2/20 0.38
TP53 P04637 2/20 0.38
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37

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
SCHEMBL6987149 0.90 MEN1 (0.41) KMT2ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL6984729 0.89 ALDH1A1 (0.42) KMT2ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL6985145 0.87 KMT2A (0.56) KMT2ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL6991618 0.86 P2RX7 (0.40) SCN5ASCN9AP2RX7LRRK2GAA
SCHEMBL6989346 0.85 KCNJ11 (0.50) KMT2ANPC1RAB9AP2RX7TP53
SCHEMBL6987485 0.80 HPGD (0.38) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6982343 0.79 CYP1A2 (0.56) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6983246 0.79 KMT2A (0.44) KMT2ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL6984373 0.77 KMT2A (0.43) KMT2ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL6986478 0.77 KMT2A (0.43) KMT2ANPC1RAB9ACYP1A2CYP3A4

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 1875/4885NPC1 735/4885RAB9A 3503/4885

“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.