SCHEMBL19687329

SCHEMBL19687329

CC(=O)N1CCN(c2cc(-n3ccc(Br)n3)nc(NC3CCC(F)(F)CC3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 8/20 0.47
EPHX2 P34913 1/20 0.39
MAPK8 P45983 2/20 0.38
GBA1 P04062 1/20 0.37
IDH2 P48735 2/20 0.37
HRH4 Q9H3N8 1/20 0.36
RAF1 P04049 1/20 0.36
SYK P43405 2/20 0.35
SMO Q99835 2/20 0.35
NAPEPLD Q6IQ20 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL19687327 0.90 IDH1 (0.47) IDH1EPHX2MAPK8GBA1IDH2
SCHEMBL21143852 0.90 IDH1 (0.47) IDH1EPHX2MAPK8GBA1IDH2
SCHEMBL19687303 0.90 IDH1 (0.47) IDH1EPHX2MAPK8GBA1IDH2
SCHEMBL19687300 0.89 IDH1 (0.45) IDH1EPHX2MAPK8GBA1IDH2
SCHEMBL19686369 0.88 IDH1 (0.46) IDH1EPHX2MAPK8GBA1IDH2
SCHEMBL21144270 0.88 IDH1 (0.46) IDH1EPHX2MAPK8GBA1IDH2
SCHEMBL31127035 0.88 IDH1 (0.46) IDH1EPHX2MAPK8GBA1IDH2
SCHEMBL19686963 0.88 IDH1 (0.48) IDH1EPHX2MAPK8GBA1IDH2
SCHEMBL21165816 0.87 IDH1 (0.59) IDH1IDH2
SCHEMBL19686374 0.87 IDH1 (0.45) IDH1EPHX2MAPK8GBA1IDH2

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 3017/4885EPHX2 4064/4885MAPK8 1065/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885EPHX2 4064/4885MAPK8 1065/4885

“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.