SCHEMBL23268317

SCHEMBL23268317

N[C@H]1[C@H]2CN(c3nn4c(I)cnc4s3)C[C@H]2CC[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.36
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
HASPIN Q8TF76 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
SCHEMBL23268324 1.00 KCNH2 (0.36) KCNH2LMNATHRBHASPIN
SCHEMBL23268395 0.81 KCNH2 (0.38) KCNH2LMNATHRBHASPIN
SCHEMBL23268405 0.77 RET (0.33) KCNH2LMNATHRB
SCHEMBL23268357 0.77 RET (0.33) KCNH2LMNATHRB
SCHEMBL23288661 0.76 LMNA (0.31) KCNH2LMNATHRB
SCHEMBL23268382 0.76 KCNH2 (0.33) KCNH2
SCHEMBL23244824 0.75 KCNH2 (0.57) KCNH2HASPIN
SCHEMBL23288616 0.72 KCNH2 (0.45) KCNH2LMNATHRBHASPIN
SCHEMBL23288642 0.71 LMNA (0.31) LMNATHRB
SCHEMBL23268258 0.71 KCNH2 (0.30) KCNH2

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-11597733-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2023-03-07 US disclosed
WO-2021078120-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-29 WO disclosed
US-20210115065-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-22 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-11597733-B2 Compounds and compositions for the treatment of parasitic diseases ABCB11, SQLE, FURIN KCNH2 434/4885LMNA 1146/4885THRB 4546/4885
US-20210115065-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES ABCB11, SQLE, FURIN KCNH2 434/4885LMNA 1146/4885THRB 4546/4885

“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.