SCHEMBL13721076

SCHEMBL13721076

CC(C)(C)NC(=O)Cc1nn(NC(=O)Cc2ccc(Cl)cc2)c(=O)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ AKR1B1 P15121 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HTT P42858 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ S1PR2 O95136 1/20 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
SCHEMBL13721693 0.88 KDM4E (0.46) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL13721052 0.88 KDM4E (0.47) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL13721152 0.86 AKR1B1 (0.58) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL1790428 0.85 ADRA1A (0.51) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL30795062 0.85 ADRA1A (0.51) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL13721548 0.85 KDM4E (0.51) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL13720474 0.84 KDM4E (0.47) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL1786714 0.83 KDM4E (0.55) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL30795176 0.83 KDM4E (0.55) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL13858646 0.83 ALDH1A1 (0.50) KMT2AMEN1KDM4EHPGDALDH1A1

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 KMT2A 574/4885MEN1 1274/4885KDM4E 751/4885

“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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