SCHEMBL13721059

SCHEMBL13721059

CCC(C(=O)O)c1nn(NC(=O)Cc2ccc(Cl)cc2)c(=O)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ CACNA1G O43497 1/20 0.42
▸ CACNA1H O95180 1/20 0.42
▸ CACNA1I Q9P0X4 1/20 0.42
▸ EGFR P00533 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ CNR2 P34972 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL13721336 0.88 KDM4E (0.49) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL1787852 0.86 HPGD (0.52) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL16155940 0.85 KDM4E (0.47) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL9374679 0.83 MEN1 (0.39) KDM4EMEN1KMT2ALMNAHTT
SCHEMBL13720535 0.82 LMNA (0.57) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL30795176 0.80 KDM4E (0.55) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL1786714 0.80 KDM4E (0.55) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL1785726 0.80 KDM4E (0.54) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL30824700 0.80 KDM4E (0.54) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL9374682 0.79 KMT2A (0.40) KDM4EALDH1A1MEN1KMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1562/4885ALDH1A1 743/4885

“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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