SCHEMBL13720642

SCHEMBL13720642

N#Cc1ccc(S(=O)(=O)c2nn(NC(=O)Cc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ S1PR1 P21453 2/20 0.40
▸ S1PR3 Q99500 2/20 0.40
▸ EGFR P00533 2/20 0.39
▸ ERBB2 P04626 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ CACNA1H O95180 3/20 0.37
▸ CACNA1G O43497 2/20 0.37
▸ CACNA1I Q9P0X4 2/20 0.37
▸ CNR1 P21554 2/20 0.37

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 0.91 ALDH1A1 (0.40) ABCB1MEN1KMT2AEGFRERBB2
SCHEMBL13721332 0.89 EGFR (0.50) ABCB1KDM4EHPGDMEN1KMT2A
SCHEMBL13858680 0.87 KDM4E (0.45) ABCB1KDM4EHPGDMEN1KMT2A
SCHEMBL13720542 0.87 KDM4E (0.45) KDM4EHPGDMEN1KMT2AEGFR
SCHEMBL13720804 0.87 EGFR (0.50) KDM4EHPGDMEN1KMT2AEGFR
SCHEMBL13720284 0.87 EGFR (0.50) KDM4EHPGDMEN1KMT2AEGFR
SCHEMBL13720446 0.86 KDM4E (0.45) ABCB1KDM4EHPGDMEN1KMT2A
SCHEMBL13720697 0.86 ABCB1 (0.35) ABCB1ALDH1A1CA12CA1CA2
SCHEMBL13720857 0.86 KDM4E (0.43) KDM4EHPGDMEN1KMT2AEGFR
SCHEMBL16155987 0.85 PRMT1 (0.46) KDM4EHPGDMEN1KMT2AEGFR

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 5 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
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 293/4885KDM4E 751/4885HPGD 1562/4885

“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.

Send feedback