SCHEMBL13721432

SCHEMBL13721432

CC(C)(C)N(Cc1nn(NC(=O)Cc2ccc(C(F)(F)F)cc2)c(=O)c2ccccc12)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ AKR1B1 P15121 5/20 0.44
▸ KMT2A Q03164 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ CXCR3 P49682 7/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL13720957 0.91 SMN1; SMN2 (0.47) LMNAPOLBKMT2AKDM4EUSP2
SCHEMBL13721811 0.89 KDM4E (0.46) LMNAAKR1B1KMT2AKDM4E
SCHEMBL16155973 0.82 LMNA (0.57) LMNAPOLBAKR1B1KMT2ACNR2
SCHEMBL1786577 0.81 LMNA (0.52) LMNAPOLBAKR1B1CNR2CXCR3
SCHEMBL30795856 0.81 LMNA (0.52) LMNAPOLBAKR1B1CNR2CXCR3
SCHEMBL13721293 0.81 KDM4E (0.46) LMNAAKR1B1KMT2AKDM4E
SCHEMBL13720913 0.79 ALDH1A1 (0.46) LMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL13720752 0.78 CHRNA7 (0.37) LMNAPOLBAKR1B1KMT2ACNR2
SCHEMBL13720840 0.76 KDM4E (0.46) LMNAAKR1B1KMT2AKDM4E
SCHEMBL13720849 0.76 KDM4E (0.44) LMNAPOLBAKR1B1KMT2ACNR2

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-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 LMNA 1022/4885POLB 4320/4885AKR1B1 236/4885

“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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