SCHEMBL13721052

SCHEMBL13721052

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ USP2 O75604 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ AKR1B1 P15121 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ S1PR2 O95136 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ CACNA1G O43497 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ CACNA1I Q9P0X4 1/20 0.39

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
SCHEMBL13721076 0.88 KMT2A (0.49) KDM4EHPGDLMNAPOLBSMN1; SMN2
SCHEMBL13721152 0.84 AKR1B1 (0.58) KDM4EHPGDPOLBKMT2AMEN1
SCHEMBL13720474 0.84 KDM4E (0.47) KDM4EHPGDLMNAPOLBSMN1; SMN2
SCHEMBL13720169 0.83 ALDH1A1 (0.48) KDM4EHPGDLMNAPOLBSMN1; SMN2
SCHEMBL13721548 0.83 KDM4E (0.51) KDM4EHPGDLMNASMN1; SMN2USP2
SCHEMBL1790428 0.83 ADRA1A (0.51) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL30795062 0.83 ADRA1A (0.51) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL13720579 0.83 KDM4E (0.44) KDM4EHPGDLMNASMN1; SMN2KMT2A
SCHEMBL13721693 0.82 KDM4E (0.46) KDM4EHPGDLMNAPOLBSMN1; SMN2
SCHEMBL13858772 0.82 KDM4E (0.46) KDM4EHPGDLMNAPOLBSMN1; SMN2

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 1562/4885LMNA 1022/4885

“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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