SCHEMBL19687003

SCHEMBL19687003

COC(=O)N1CC(Oc2cc(NC3CCC(F)(F)CC3)nc(-n3ccc(Br)n3)n2)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 8/20 0.38
PDE4D Q08499 1/20 0.31
IDH2 P48735 2/20 0.31
ROCK2 O75116 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL19687001 0.91 IDH1 (0.39) IDH1PDE4DIDH2ROCK2NOS3
SCHEMBL19686287 0.91 IDH1 (0.39) IDH1PDE4DIDH2ROCK2NOS3
SCHEMBL31127199 0.91 IDH1 (0.39) IDH1PDE4DIDH2ROCK2NOS3
SCHEMBL19687005 0.90 IDH1 (0.38) IDH1PDE4DIDH2ROCK2NOS1
SCHEMBL19687244 0.89 IDH1 (0.38) IDH1PDE4DIDH2ROCK2NOS3
SCHEMBL19687241 0.89 IDH1 (0.38) IDH1PDE4DIDH2ROCK2
SCHEMBL19686559 0.89 IDH1 (0.37) IDH1PDE4DIDH2ROCK2NOS3
SCHEMBL19686905 0.89 IDH1 (0.37) IDH1PDE4DIDH2
SCHEMBL19687406 0.89 IDH1 (0.37) IDH1PDE4DIDH2ROCK2
SCHEMBL19686562 0.83 IDH1 (0.36) IDH1PDE4DIDH2NOS3NOS1

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 3017/4885PDE4D 1401/4885IDH2 2447/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885PDE4D 1401/4885IDH2 2447/4885

“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.