SCHEMBL21144171

SCHEMBL21144171

CS(=O)(=O)c1nc(NC2CCC(F)(F)CC2)cc(OC2C[CH]C2)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
IDH1 O75874 8/20 0.36
PTGS2 P35354 3/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ROCK2 O75116 1/20 0.33
BRD4 O60885 1/20 0.33
SCN9A Q15858 2/20 0.32
IDH2 P48735 2/20 0.32
CCNT1 O60563 1/20 0.31
NAE1 Q13564 1/20 0.31
UBA3 Q8TBC4 1/20 0.31
FFAR2 O15552 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
SCHEMBL31127173 0.88 KCNH2 (0.37) KCNH2IDH1PTGS2LMNASMN1; SMN2
SCHEMBL21144284 0.88 KCNH2 (0.37) KCNH2IDH1PTGS2LMNASMN1; SMN2
SCHEMBL21144129 0.85 LMNA (0.50) KCNH2IDH1PTGS2LMNASMN1; SMN2
SCHEMBL31127073 0.85 GPR119 (0.36) KCNH2IDH1LMNASMN1; SMN2ROCK2
SCHEMBL21144088 0.85 GPR119 (0.36) KCNH2IDH1LMNASMN1; SMN2ROCK2
SCHEMBL31127190 0.83 KCNH2 (0.33) KCNH2IDH1PTGS2LMNASMN1; SMN2
SCHEMBL21166208 0.83 KCNH2 (0.33) KCNH2IDH1PTGS2LMNASMN1; SMN2
SCHEMBL21144186 0.82 IDH1 (0.42) IDH1IDH2
SCHEMBL21144114 0.81 GPR119 (0.47) IDH1IDH2
SCHEMBL21143837 0.80 KCNH2 (0.47) KCNH2IDH1PTGS2ROCK2BRD4

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 2 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

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 KCNH2 22/4885IDH1 3017/4885PTGS2 1335/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 KCNH2 22/4885IDH1 3017/4885PTGS2 1335/4885

“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.