SCHEMBL13721362

SCHEMBL13721362

CC(C)(CC(=O)Nn1nc(S(=O)(=O)c2ccc(C#N)cc2)c2ccccc2c1=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ PKM P14618 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ NAMPT P43490 3/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ NTRK2 Q16620 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ EEF2K O00418 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ C1R P00736 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL13720970 0.90 ALDH1A1 (0.40) SMN1; SMN2RXFP1MAPTRAB9AALDH1A1
SCHEMBL13720642 0.79 ABCB1 (0.48) RORCABCB1ALDH1A1
SCHEMBL13720585 0.79 ALDH1A1 (0.40) KEAP1NFE2L2SMN1; SMN2ABCB1MAPT
SCHEMBL13720697 0.78 ABCB1 (0.35) KEAP1NFE2L2SMN1; SMN2RORCNAMPT
SCHEMBL30795772 0.78 POLB (0.40) PKMMAPK1SMN1; SMN2MAPTRAB9A
SCHEMBL1784808 0.78 POLB (0.40) PKMMAPK1SMN1; SMN2MAPTRAB9A
SCHEMBL1787049 0.77 MEN1 (0.40) SMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL30796204 0.77 MEN1 (0.40) SMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL1786762 0.75 TSHR (0.50) SMN1; SMN2MAPTRAB9AALDH1A1L3MBTL1
SCHEMBL30795814 0.75 TSHR (0.50) SMN1; SMN2MAPTRAB9AALDH1A1L3MBTL1

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 KEAP1 431/4885NFE2L2 1276/4885PKM 340/4885

“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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