SCHEMBL26100355

SCHEMBL26100355

CS(=O)(=O)C1CN(Cc2ccc([N+](=O)[O-])cc2)C1.CS(=O)(=O)C1CNC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
KCNJ1 P48048 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
KCNH2 Q12809 2/20 0.44
NPC1 O15118 1/20 0.42
NR2F2 P24468 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL26548211 0.92 GBA1 (0.53) GBA1ALDH1A1KDM4EKCNJ1LMNA
SCHEMBL378000 0.74 GBA1 (0.54) GBA1ALDH1A1KDM4EKCNJ1LMNA
SCHEMBL3401703 0.74 GBA1 (0.54) GBA1ALDH1A1KDM4EKCNJ1LMNA
SCHEMBL26097936 0.73 JAK1 (0.53) GBA1ALDH1A1LMNAJAK1JAK3
SCHEMBL3156675 0.73 HRH3 (0.63) GBA1ALDH1A1KDM4EKCNJ1LMNA
SCHEMBL30361409 0.72 GBA1 (0.58) GBA1ALDH1A1KDM4EKCNJ1LMNA
SCHEMBL14564424 0.70 ALDH1A1 (0.70) ALDH1A1KDM4EKCNJ1LMNASMN1; SMN2
SCHEMBL626660 0.69 KCNJ1 (0.72) ALDH1A1KDM4EKCNJ1LMNASMN1; SMN2
SCHEMBL10759713 0.69 TRPV6 (0.47) GBA1ALDH1A1KDM4EKCNJ1LMNA
SCHEMBL13527054 0.69 ALDH1A1 (0.58) ALDH1A1KDM4EKCNJ1LMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 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 (1 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-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 GBA1 2683/4885ALDH1A1 2019/4885KDM4E 2721/4885

“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.