SCHEMBL21165874

SCHEMBL21165874

Cc1cc(C)n(-c2cc(C3CC(CO)(CO)C3)nc(NC3CCC(F)(F)CC3)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 17/20 0.40
IDH2 P48735 5/20 0.38
KCNN2 Q9H2S1 1/20 0.34
KCNN3 Q9UGI6 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL21144444 0.88 IDH1 (0.46) IDH1IDH2KCNN2KCNN3
SCHEMBL19686347 0.85 IDH1 (0.39) IDH1IDH2KCNN2KCNN3SMN1; SMN2
SCHEMBL19687321 0.84 IDH1 (0.47) IDH1IDH2
SCHEMBL19686365 0.84 IDH1 (0.48) IDH1IDH2KCNN2KCNN3SMN1; SMN2
SCHEMBL31127245 0.82 IDH1 (0.42) IDH1IDH2KCNN2KCNN3SMN1; SMN2
SCHEMBL21143969 0.82 IDH1 (0.42) IDH1IDH2KCNN2KCNN3SMN1; SMN2
SCHEMBL31127339 0.81 IDH1 (0.46) IDH1IDH2KCNN2KCNN3SMN1; SMN2
SCHEMBL19686984 0.81 IDH1 (0.46) IDH1IDH2KCNN2KCNN3SMN1; SMN2
SCHEMBL19686587 0.79 IDH1 (0.42) IDH1IDH2KCNN2KCNN3SMN1; SMN2
SCHEMBL19687541 0.79 IDH1 (0.44) IDH1IDH2KCNN2KCNN3SMN1; SMN2

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 IDH1 3017/4885IDH2 2447/4885KCNN2 5/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885KCNN2 5/4885

“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.