SCHEMBL25525834

SCHEMBL25525834

CCc1cc[n+](CCC[N+](C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCHE P06276 11/20 0.38
ACHE P22303 11/20 0.38
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL19946631 0.83 MEN1 (0.54) TP53MEN1CYP1A2CYP2D6MAPT
Hydrochloric Acid SCHEMBL29538521 0.81 MEN1 (0.52) TP53MEN1CYP1A2CYP2D6MAPT
SCHEMBL53084 0.81 HTT (0.55) TP53MEN1CYP1A2CYP2D6MAPT
SCHEMBL18883319 0.80 MEN1 (0.62) TP53MEN1CYP1A2CYP2D6MAPT
SCHEMBL15006231 0.80 MEN1 (0.60) TP53MEN1CYP1A2CYP2D6MAPT
Bromide SCHEMBL50943 0.79 HTT (0.53) MEN1KMT2AHTTKDM4ESMN1; SMN2
SCHEMBL5306627 0.78 KMT2A (0.58) TP53MEN1CYP1A2CYP2D6MAPT
SCHEMBL19961816 0.76 MEN1 (0.47) TP53MEN1CYP1A2CYP2D6MAPT
Fluoride Ion SCHEMBL30330248 0.76 KMT2A (0.56) TP53MEN1CYP1A2CYP2D6MAPT
Hydrochloric Acid SCHEMBL3044045 0.76 KMT2A (0.56) TP53MEN1CYP1A2CYP2D6MAPT

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-20230165978-A1 Composition and A Method For Diagnosing And Treating Bacterial Infection Hong Kong Centre for Cerebro-Cardiovascular Health Engineering Limited (HK) 2023-06-01 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-20230165978-A1 Composition and A Method For Diagnosing And Treating Bacterial Infection NOD2, PYCARD, NOD1 TP53 3002/4885MEN1 4616/4885CYP1A2 3109/4885

“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.