SCHEMBL13720635

SCHEMBL13720635

Cc1cccc(CC(=O)Nn2nc(S(=O)(=O)c3ccccc3)c3ccccc3c2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 1/20 0.47
▸ CACNA1H O95180 1/20 0.47
▸ CACNA1I Q9P0X4 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.43
▸ IDH1 O75874 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KCNQ2 O43526 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ NAMPT P43490 2/20 0.39
▸ GLS O94925 1/20 0.39

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
SCHEMBL13720205 0.88 CACNA1G (0.47) CACNA1GCACNA1HCACNA1IALDH1A1IDH1
SCHEMBL13720954 0.87 KDM4E (0.55) ALDH1A1CASP3CASP7TP53MAPT
SCHEMBL13720880 0.85 KDM4E (0.52) ALDH1A1MAPTKCNQ2MEN1KMT2A
SCHEMBL13720767 0.83 MAPK8 (0.42) ALDH1A1IDH1MEN1KMT2AKDM4E
SCHEMBL13720795 0.83 AKR1B1 (0.39) IDH1NAMPT
SCHEMBL13721251 0.82 EGFR (0.50) ALDH1A1CASP3CASP7MAPTMEN1
SCHEMBL13721332 0.82 EGFR (0.50) CACNA1GCACNA1HCACNA1IALDH1A1CASP3
SCHEMBL13720726 0.82 EGFR (0.50) MEN1KMT2AL3MBTL1
SCHEMBL13720284 0.81 EGFR (0.50) CACNA1GCACNA1HCACNA1IALDH1A1TP53
SCHEMBL1789483 0.77 TP53 (0.59) CACNA1GCACNA1HCACNA1IALDH1A1TP53

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 CACNA1G 57/4885CACNA1H 74/4885CACNA1I 67/4885

“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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