SCHEMBL19686327

SCHEMBL19686327

CCOC(=O)N1CC(Oc2cc(NC3CCC(F)(F)CC3)nc(-n3ccc(CF)n3)n2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.37
NOS1 P29475 4/20 0.37
NOS3 P29474 2/20 0.37
IDH1 O75874 2/20 0.37
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
MAP4K4 O95819 1/20 0.33
P2RY12 Q9H244 1/20 0.32
JAK1 P23458 2/20 0.31
JAK2 O60674 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
KDM4E B2RXH2 3/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL31127042 1.00 NOS2 (0.37) NOS2NOS1NOS3IDH1HSD17B10
SCHEMBL19686559 0.94 IDH1 (0.37) NOS2NOS1NOS3IDH1JAK1
SCHEMBL19686903 0.92 IDH1 (0.36) NOS2NOS1IDH1CCNA2CDK2
SCHEMBL31127296 0.92 IDH1 (0.36) NOS2NOS1IDH1CCNA2CDK2
SCHEMBL31127397 0.92 IDH1 (0.37) NOS2NOS1NOS3IDH1JAK1
SCHEMBL19686634 0.92 IDH1 (0.37) NOS2NOS1NOS3IDH1JAK1
SCHEMBL19686636 0.92 IDH1 (0.38) IDH1CCNA2CDK2CDK5CDK5R1
SCHEMBL19686556 0.92 IDH1 (0.39) IDH1MAPTJAK1ALDH1A1IDH2
SCHEMBL19686637 0.91 IDH1 (0.37) IDH1JAK1CCNA2CDK2CDK5
SCHEMBL19686635 0.90 IDH1 (0.38) IDH1CCNA2CDK2CDK5CDK5R1

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 NOS2 2703/4885NOS1 2293/4885NOS3 3044/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 NOS2 2703/4885NOS1 2293/4885NOS3 3044/4885

“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.