SCHEMBL13721316

SCHEMBL13721316

Nc1ccc(Sc2nn(NC(=O)Cc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CACNA1G O43497 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ CACNA1I Q9P0X4 1/20 0.39
▸ EGFR P00533 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ CASP3 P42574 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ AKR1B1 P15121 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 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
SCHEMBL13721165 0.92 KMT2A (0.48) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL13721379 0.90 MEN1 (0.46) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL13720819 0.89 KDM4E (0.45) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL13858401 0.88 KDM4E (0.45) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL16155964 0.87 AKR1B1 (0.45) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL13720757 0.83 KDM4E (0.41) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL13721378 0.81 HPGD (0.47) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL13721003 0.81 KDM4E (0.49) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL13720542 0.80 KDM4E (0.45) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL1785726 0.79 KDM4E (0.54) KDM4EHPGDKMT2AMEN1ALDH1A1

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 1562/4885KMT2A 574/4885

“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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