SCHEMBL19686484

SCHEMBL19686484

CC(=O)c1cc(NC2CCC(F)(F)CC2)nc(-c2nc(C3CC3)cs2)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 14/20 0.44
IDH2 P48735 1/20 0.38
TMIGD3 P0DMS9 1/20 0.34
ADORA1 P30542 1/20 0.34
KDM1A O60341 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
ABCB1 P08183 1/20 0.34
FABP4 P15090 2/20 0.33
FABP5 Q01469 2/20 0.33

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
SCHEMBL31127027 1.00 IDH1 (0.44) IDH1IDH2TMIGD3ADORA1KDM1A
SCHEMBL19686771 0.88 IDH1 (0.45) IDH1IDH2ATAD2ABCB1FABP4
SCHEMBL29676777 0.88 IDH1 (0.45) IDH1IDH2ATAD2ABCB1FABP4
SCHEMBL21144143 0.87 IDH1 (0.40) IDH1IDH2FABP4FABP5
SCHEMBL19686479 0.84 IDH1 (0.47) IDH1IDH2
SCHEMBL21144024 0.83 IDH1 (0.40) IDH1IDH2FABP4FABP5
SCHEMBL31127132 0.83 IDH1 (0.40) IDH1IDH2FABP4FABP5
SCHEMBL31127235 0.83 IDH1 (0.48) IDH1IDH2KDM1A
SCHEMBL19686425 0.83 IDH1 (0.48) IDH1IDH2KDM1A
SCHEMBL21143957 0.82 IDH1 (0.47) IDH1IDH2

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-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
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 WO 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 (2 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885TMIGD3 2381/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885TMIGD3 2381/4885

“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.