SCHEMBL13721332

SCHEMBL13721332

O=C(Cc1ccc(Cl)cc1)Nn1nc(S(=O)(=O)c2ccccc2)c2ccccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.50
▸ ERBB2 P04626 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ CACNA1G O43497 1/20 0.44
▸ CACNA1H O95180 1/20 0.44
▸ CACNA1I Q9P0X4 1/20 0.44
▸ AKR1B1 P15121 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL13720446 0.93 KDM4E (0.45) EGFRERBB2KDM4EHPGDMEN1
SCHEMBL13720542 0.92 KDM4E (0.45) EGFRERBB2KDM4EHPGDMEN1
SCHEMBL13720284 0.92 EGFR (0.50) EGFRERBB2KDM4EHPGDMEN1
SCHEMBL13720804 0.92 EGFR (0.50) EGFRERBB2KDM4EHPGDMEN1
SCHEMBL13858680 0.92 KDM4E (0.45) EGFRERBB2KDM4EHPGDMEN1
SCHEMBL16155987 0.91 PRMT1 (0.46) EGFRERBB2KDM4EHPGDMEN1
SCHEMBL13720857 0.90 KDM4E (0.43) EGFRERBB2KDM4EHPGDMEN1
SCHEMBL13720726 0.89 EGFR (0.50) EGFRERBB2MEN1KMT2A
SCHEMBL13721251 0.89 EGFR (0.50) EGFRERBB2MEN1KMT2AALDH1A1
SCHEMBL13720642 0.89 ABCB1 (0.48) EGFRERBB2KDM4EHPGDMEN1

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 EGFR 4683/4885ERBB2 4118/4885KDM4E 751/4885

“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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