SCHEMBL13720840

SCHEMBL13720840

CC(C)(C)CN(Cc1nn(NC(=O)Cc2ccc(Cl)cc2)c(=O)c2ccccc12)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.42
▸ ABCB1 P08183 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ CACNA1G O43497 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ CACNA1I Q9P0X4 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ ADRA1A P35348 2/20 0.38
▸ HRH1 P35367 2/20 0.38
▸ ADRA1B P35368 2/20 0.38
▸ EGFR P00533 2/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ ERBB2 P04626 1/20 0.36
▸ RXFP1 Q9HBX9 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
SCHEMBL13720849 0.91 KDM4E (0.44) KDM4EHPGDALDH1A1ABCB1KMT2A
SCHEMBL13721045 0.90 KDM4E (0.48) KDM4EHPGDALDH1A1ABCB1KMT2A
SCHEMBL13720988 0.89 ABCB1 (0.48) KDM4EHPGDALDH1A1ABCB1KMT2A
SCHEMBL13720684 0.87 KDM4E (0.46) KDM4EHPGDALDH1A1ABCB1KMT2A
SCHEMBL13721811 0.87 KDM4E (0.46) KDM4EHPGDALDH1A1ABCB1KMT2A
SCHEMBL13721293 0.84 KDM4E (0.46) KDM4EHPGDALDH1A1ABCB1KMT2A
SCHEMBL13721152 0.81 AKR1B1 (0.58) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL13721052 0.81 KDM4E (0.47) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL13721076 0.81 KMT2A (0.49) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL30796387 0.80 TSHR (0.51) KDM4EHPGDALDH1A1ABCB1KMT2A

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 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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