SCHEMBL13720857

SCHEMBL13720857

O=C(Cc1ccc(Cl)cc1)Nn1nc(S(=O)(=O)c2cc[n+]([O-])cc2)c2ccccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ EGFR P00533 7/20 0.40
▸ ERBB2 P04626 7/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CACNA1G O43497 1/20 0.38
▸ CACNA1H O95180 1/20 0.38
▸ CACNA1I Q9P0X4 1/20 0.38
▸ CYP1A2 P05177 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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 0.90 EGFR (0.50) KDM4EHPGDMEN1KMT2AEGFR
SCHEMBL13720284 0.88 EGFR (0.50) KDM4EHPGDMEN1KMT2AEGFR
SCHEMBL13720804 0.88 EGFR (0.50) KDM4EHPGDMEN1KMT2AEGFR
SCHEMBL13720542 0.88 KDM4E (0.45) KDM4EHPGDMEN1KMT2AEGFR
SCHEMBL13720446 0.87 KDM4E (0.45) KDM4EHPGDMEN1KMT2AEGFR
SCHEMBL13858680 0.86 KDM4E (0.45) KDM4EHPGDMEN1KMT2AEGFR
SCHEMBL16155987 0.86 PRMT1 (0.46) KDM4EHPGDMEN1KMT2AEGFR
SCHEMBL13720642 0.86 ABCB1 (0.48) KDM4EHPGDMEN1KMT2AEGFR
SCHEMBL13720252 0.81 KDM4E (0.41) KDM4EHPGDMEN1KMT2AEGFR
SCHEMBL13720767 0.81 MAPK8 (0.42) KDM4EHPGDMEN1KMT2AALDH1A1

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 4 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
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 KDM4E 751/4885HPGD 1562/4885MEN1 1274/4885

“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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