SCHEMBL19686737

SCHEMBL19686737

Cc1csc(-c2cc(COC(N)=O)cc(NC3CCC(F)(F)CC3)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 9/20 0.35
IDH2 P48735 1/20 0.35
FABP4 P15090 5/20 0.34
FABP5 Q01469 5/20 0.34
KDM1A O60341 2/20 0.33
S100A4 P26447 1/20 0.32
MAPK8 P45983 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MAOB P27338 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL19687089 0.87 IDH1 (0.39) IDH1IDH2FABP4FABP5IRAK4
SCHEMBL19687105 0.85 IDH1 (0.40) IDH1IDH2FABP4FABP5KDM1A
SCHEMBL31127332 0.85 IDH1 (0.40) IDH1IDH2FABP4FABP5IRAK4
SCHEMBL19686433 0.85 IDH1 (0.40) IDH1IDH2FABP4FABP5IRAK4
SCHEMBL21143866 0.84 IDH1 (0.39) IDH1IDH2FABP4FABP5S100A4
SCHEMBL19687423 0.84 TGFBR1 (0.35) IDH1IDH2FABP4FABP5KDM1A
SCHEMBL21143664 0.83 IDH1 (0.40) IDH1IDH2FABP4FABP5KDM1A
SCHEMBL31127387 0.83 IDH1 (0.36) IDH1IDH2FABP4FABP5KDM1A
SCHEMBL19687097 0.83 IDH1 (0.36) IDH1IDH2FABP4FABP5KDM1A
SCHEMBL19687093 0.82 IDH1 (0.34) IDH1IDH2FABP4FABP5KDM1A

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-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
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 2447/4885FABP4 2531/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885FABP4 2531/4885

“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.