SCHEMBL13720425

SCHEMBL13720425

CS(=O)(=O)c1ccc(CC(=O)Nn2nc(Sc3ccccc3)c3ccccc3c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 3/20 0.41
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RORC P51449 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GLS O94925 1/20 0.39
▸ PTGDR2 Q9Y5Y4 2/20 0.38
▸ AURKA O14965 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37

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) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL13720819 0.82 KDM4E (0.45) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL13721024 0.81 AKR1B1 (0.39) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL1786193 0.81 PTGS2 (0.43) MAPK8PTGS2RXFP1ALDH1A1MEN1
SCHEMBL30796432 0.81 PTGS2 (0.43) MAPK8PTGS2RXFP1ALDH1A1MEN1
SCHEMBL13720767 0.81 MAPK8 (0.42) MAPK8RXFP1ALDH1A1MEN1KMT2A
SCHEMBL13721379 0.79 MEN1 (0.46) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL13858401 0.79 KDM4E (0.45) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL13721316 0.79 KDM4E (0.45) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL16155964 0.79 AKR1B1 (0.45) ALDH1A1MEN1KMT2ALMNAHTT

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 MAPK8 2047/4885PTGS1 285/4885PTGS2 636/4885

“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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