SCHEMBL13720757

SCHEMBL13720757

CC(C)(C)N(C(=O)O)c1ccc(Sc2nn(NC(=O)Cc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CACNA1G O43497 4/20 0.38
▸ CACNA1H O95180 4/20 0.38
▸ CACNA1I Q9P0X4 4/20 0.38
▸ AKR1B1 P15121 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL13721165 0.86 KMT2A (0.48) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL16155964 0.84 AKR1B1 (0.45) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL13720252 0.83 KDM4E (0.41) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL13721379 0.83 MEN1 (0.46) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL13721316 0.83 KDM4E (0.45) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL13720819 0.82 KDM4E (0.45) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL13858401 0.81 KDM4E (0.45) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL13721003 0.80 KDM4E (0.49) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL13720425 0.76 MAPK8 (0.41) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL13721378 0.76 HPGD (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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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