SCHEMBL21144273

SCHEMBL21144273

CC(C)C(=O)NCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(COC(=O)C(C)C)n2)c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.32
PTGES O14684 2/20 0.32
TP53 P04637 1/20 0.31
F2 P00734 1/20 0.31
F11 P03951 1/20 0.31
SMO Q99835 1/20 0.30
ALDH1A1 P00352 1/20 0.30
METTL3 Q86U44 1/20 0.30
NAPEPLD Q6IQ20 1/20 0.30
ERCC1 P07992 1/20 0.30
ERCC4 Q92889 1/20 0.30

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
SCHEMBL21143975 0.91 IDH1 (0.34) IDH1PTGESF2F11SMO
SCHEMBL31127100 0.91 IDH1 (0.34) IDH1PTGESF2F11SMO
SCHEMBL19686925 0.90 IDH1 (0.34) IDH1PTGESF2F11SMO
SCHEMBL19686411 0.87 IDH1 (0.35) IDH1PTGESF2F11SMO
SCHEMBL21166293 0.82 IDH1 (0.34) IDH1F2F11METTL3NAPEPLD
SCHEMBL21144021 0.82 CCNA2 (0.36) IDH1F2F11METTL3NAPEPLD
SCHEMBL19686404 0.82 IDH1 (0.34) IDH1F2F11METTL3NAPEPLD
SCHEMBL19686343 0.81 IDH1 (0.35) IDH1F2F11METTL3NAPEPLD
SCHEMBL21143754 0.81 IDH1 (0.36) IDH1F2F11METTL3NAPEPLD
SCHEMBL21143958 0.81 IDH1 (0.35) IDH1F2F11METTL3NAPEPLD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317705-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2024-09-26 US disclosed
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 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 (3 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-20240317705-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885PTGES 1318/4885TP53 4644/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885PTGES 1318/4885TP53 4644/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885PTGES 1318/4885TP53 4644/4885

“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.