SCHEMBL13720205

SCHEMBL13720205

O=C(Cc1cccc(Cl)c1)Nn1nc(S(=O)(=O)c2ccccc2)c2ccccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 1/20 0.47
▸ CACNA1H O95180 1/20 0.47
▸ CACNA1C Q13936 1/20 0.47
▸ CACNA1I Q9P0X4 1/20 0.47
▸ KCNQ2 O43526 4/20 0.44
▸ IDH1 O75874 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ AKR1B1 P15121 1/20 0.41
▸ CSNK1D P48730 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ PTGS1 P23219 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
SCHEMBL13721332 0.89 EGFR (0.50) CACNA1GCACNA1HCACNA1ICASP3CASP7
SCHEMBL13720635 0.88 CACNA1G (0.47) CACNA1GCACNA1HCACNA1IKCNQ2IDH1
SCHEMBL13720954 0.85 KDM4E (0.55) KCNQ2CASP3CASP7ALDH1A1MEN1
SCHEMBL13720880 0.85 KDM4E (0.52) KCNQ2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13720795 0.83 AKR1B1 (0.39) IDH1SMN1; SMN2SIGMAR1AKR1B1PTGS1
SCHEMBL13720726 0.82 EGFR (0.50) MEN1KMT2A
SCHEMBL13721251 0.82 EGFR (0.50) CASP3CASP7ALDH1A1MEN1KMT2A
SCHEMBL13720446 0.82 KDM4E (0.45) CACNA1GCACNA1HCACNA1ICASP3CASP7
SCHEMBL13720767 0.81 MAPK8 (0.42) IDH1ALDH1A1MEN1HPGDKMT2A
SCHEMBL13720284 0.81 EGFR (0.50) CACNA1GCACNA1HCACNA1IALDH1A1MEN1

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 74/4885CACNA1C 58/4885

“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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