SCHEMBL13720579

SCHEMBL13720579

CC(C(=O)NCC(C)(C)C)c1nn(NC(=O)Cc2ccc(Cl)cc2)c(=O)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GPR139 Q6DWJ6 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CACNA1G O43497 1/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ CACNA1I Q9P0X4 1/20 0.37
▸ CASP3 P42574 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ABCB1 P08183 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 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
SCHEMBL13721267 0.89 KDM4E (0.46) KDM4EHPGDALDH1A1CYP2D6MEN1
SCHEMBL13721336 0.85 KDM4E (0.49) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL1787852 0.84 HPGD (0.52) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL13721052 0.83 KDM4E (0.47) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL13720535 0.82 LMNA (0.57) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL1785786 0.78 KDM4E (0.52) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL30795129 0.78 KDM4E (0.52) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL13721059 0.78 KDM4E (0.48) KDM4EHPGDALDH1A1CYP2D6MEN1
SCHEMBL16155940 0.77 KDM4E (0.47) KDM4EHPGDALDH1A1CYP2D6MEN1
SCHEMBL1786714 0.77 KDM4E (0.55) KDM4EHPGDALDH1A1MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US claimed
WO-2012158399-A1 CONDENSED 2 - CARBAMOYLPYRIDAZINONES AS POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-22 — — WO claimed
US-20120289500-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-15 — — US claimed
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US disclosed
WO-2012158399-A1 CONDENSED 2 - CARBAMOYLPYRIDAZINONES AS POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-22 — — WO disclosed
US-20120289500-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-15 — — US 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-20120289500-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 KDM4E 751/4885HPGD 1562/4885ALDH1A1 743/4885

“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.

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