SCHEMBL4367789

SCHEMBL4367789

CC(C)(C)C(NC(=O)c1cccc(Cl)c1)Nc1c(Nc2cncnc2)c(=O)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
ALOX12 P18054 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNJ11 Q14654 3/20 0.41
ABCC9 O60706 2/20 0.41
ABCC8 Q09428 2/20 0.41
KCNJ8 Q15842 2/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR4 O95977 4/20 0.41

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
SCHEMBL6984652 0.90 ABCC9 (0.51) GRM5MEN1KMT2AALDH1A1LMNA
SCHEMBL6987437 0.86 KCNQ3 (0.54) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6988592 0.84 KCNJ11 (0.54) GRM5MEN1KMT2AALDH1A1LMNA
SCHEMBL6987283 0.83 KMT2A (0.44) GRM5MEN1KMT2AALDH1A1NPSR1
SCHEMBL6985814 0.83 KCNJ11 (0.52) GRM5MEN1KMT2AALDH1A1LMNA
SCHEMBL6990454 0.82 ABCC9 (0.52) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4371299 0.81 PLK1 (0.37) GRM5CYP3A4KCNJ11ABCC9ABCC8
SCHEMBL6989259 0.81 ALDH1A1 (0.46) GRM5MEN1KMT2AALDH1A1LMNA
SCHEMBL6983246 0.80 KMT2A (0.44) GRM5MEN1KMT2AALDH1A1LMNA
SCHEMBL6982343 0.79 CYP1A2 (0.56) MEN1KMT2ALMNAMAPTCYP1A2

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
WO-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO claimed
WO-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO disclosed
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 GRM5 3259/4885MEN1 773/4885KMT2A 1875/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 GRM5 3259/4885MEN1 773/4885KMT2A 1875/4885

“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.