SCHEMBL19687119

SCHEMBL19687119

COC(=O)N1CCC(Oc2cc(NC3CCC(F)(F)CC3)nc(-c3nc(C)cs3)n2)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 7/20 0.37
RAB9A P51151 1/20 0.35
NOS2 P35228 5/20 0.34
NOS1 P29475 4/20 0.34
NOS3 P29474 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
IDH2 P48735 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
HSD11B1 P28845 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
SLC5A7 Q9GZV3 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32

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
SCHEMBL19687400 0.94 IDH1 (0.38) IDH1RAB9AHRH3IDH2IRAK4
SCHEMBL31127156 0.94 IDH1 (0.38) IDH1RAB9AHRH3IDH2IRAK4
SCHEMBL19686695 0.89 RAB9A (0.43) IDH1RAB9AHRH3IDH2SLC5A7
SCHEMBL21165836 0.87 IDH1 (0.39) IDH1HRH3IDH2
SCHEMBL19686869 0.86 IDH1 (0.41) IDH1IDH2
SCHEMBL21144521 0.86 IDH1 (0.37) IDH1HRH3IDH2IRAK4
SCHEMBL19686399 0.86 IDH1 (0.37) IDH1RAB9ANOS2NOS1NOS3
SCHEMBL19687426 0.85 IDH1 (0.46) IDH1IDH2
SCHEMBL31127227 0.85 IDH1 (0.46) IDH1IDH2
SCHEMBL21143915 0.85 IDH1 (0.37) 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 3 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-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 3017/4885RAB9A 1362/4885NOS2 2703/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885RAB9A 1362/4885NOS2 2703/4885

“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.