SCHEMBL13720882

SCHEMBL13720882

Cc1ccc(S(=O)(=O)NCc2nn(NC(=O)Cc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.52
▸ ERBB2 P04626 3/20 0.52
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPT P10636 2/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ PTGES O14684 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ KCNA5 P22460 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ATM Q13315 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
SCHEMBL13720538 0.88 KDM4E (0.48) EGFRERBB2ALDH1A1KMT2AMEN1
SCHEMBL13721151 0.83 PPARA (0.45) EGFRERBB2ALDH1A1KMT2AMEN1
SCHEMBL13720284 0.83 EGFR (0.50) EGFRERBB2ALDH1A1MAPTKMT2A
SCHEMBL13858646 0.82 ALDH1A1 (0.50) EGFRERBB2ALDH1A1KMT2AMEN1
SCHEMBL13720169 0.80 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL13721548 0.80 KDM4E (0.51) EGFRERBB2ALDH1A1KMT2AMEN1
SCHEMBL30795062 0.80 ADRA1A (0.51) EGFRALDH1A1KMT2AMEN1KDM4E
SCHEMBL1790428 0.80 ADRA1A (0.51) EGFRALDH1A1KMT2AMEN1KDM4E
SCHEMBL1787368 0.79 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL1787827 0.79 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1NPC1RAB9A

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 EGFR 4683/4885ERBB2 4118/4885ALDH1A1 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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