SCHEMBL13720697

SCHEMBL13720697

N#Cc1ccc(S(=O)(=O)c2nn(NC(=O)Cc3cc(F)cc(F)c3)c(=O)c3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ NAMPT P43490 5/20 0.35
▸ MAPT P10636 1/20 0.35
▸ AKR1B1 P15121 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ EEF2K O00418 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL13720585 0.92 ALDH1A1 (0.40) ABCB1KEAP1NFE2L2MAPTALDH1A1
SCHEMBL13720795 0.89 AKR1B1 (0.39) NAMPTAKR1B1USP2LMNASMN1; SMN2
SCHEMBL13720548 0.88 AKR1B1 (0.41) NAMPTAKR1B1USP2LMNASMN1; SMN2
SCHEMBL13720642 0.86 ABCB1 (0.48) ABCB1ALDH1A1CA12CA1CA2
SCHEMBL13721251 0.80 EGFR (0.50) MAPTALDH1A1USP2LMNASMN1; SMN2
SCHEMBL13721769 0.80 SIGMAR1 (0.39) MAPTAKR1B1ALDH1A1USP2LMNA
SCHEMBL13721362 0.78 KEAP1 (0.37) ABCB1KEAP1NFE2L2NAMPTMAPT
SCHEMBL30796507 0.76 TRPV1 (0.42) AKR1B1USP2LMNASMN1; SMN2
SCHEMBL1790031 0.76 TRPV1 (0.42) AKR1B1USP2LMNASMN1; SMN2
SCHEMBL1789011 0.76 TRPV1 (0.41) ABCB1MAPTAKR1B1ALDH1A1USP2

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 ABCB1 293/4885KEAP1 431/4885NFE2L2 1276/4885

“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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