SCHEMBL21980952

SCHEMBL21980952

C[N+](C)(C)CCC[n+]1ccc(-c2nc3sc(-c4cc[n+](CCC[N+](C)(C)C)cc4)nc3s2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNA7 P36544 1/20 0.30
CHRNA10 Q9GZZ6 1/20 0.30
CHRNA9 Q9UGM1 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 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
Hydrochloric Acid SCHEMBL21980954 0.98 MEN1 (0.35) MEN1TP53CYP1A2CYP2D6MAPT
Hydrochloric Acid SCHEMBL21980955 0.98 MEN1 (0.35) MEN1TP53CYP1A2CYP2D6MAPT
Bromide SCHEMBL21980957 0.98 MEN1 (0.35) MEN1TP53CYP1A2CYP2D6MAPT
Bromide SCHEMBL21980956 0.98 MEN1 (0.35) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL29935874 0.80 KDM4E (0.51) MEN1TP53MAPTKMT2AKDM4E
Bromide SCHEMBL29935563 0.79 KDM4E (0.50) MEN1TP53MAPTKMT2AKDM4E
SCHEMBL19946631 0.79 MEN1 (0.54) MEN1TP53CYP1A2CYP2D6MAPT
Hydrochloric Acid SCHEMBL29538521 0.77 MEN1 (0.52) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL29935630 0.76 KDM4E (0.47) MEN1TP53MAPTKMT2AKDM4E
SCHEMBL18883319 0.73 MEN1 (0.62) MEN1TP53CYP1A2CYP2D6MAPT

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-11271238-B2 Applications of low-cost, thermal and electrochemically stable organic compounds as high performance redox active materials in redox flow batteries UTAH STATE UNIVERSITY (US) 2022-03-08 US disclosed
US-20200168910-A1 APPLICATIONS OF LOW-COST, THERMAL AND ELECTROCHEMICALLY STABLE ORGANIC COMPOUNDS AS HIGH PERFORMANCE REDOX ACTIVE MATERIALS IN REDOX FLOW BATTERIES UTAH STATE UNIVERSITY (US) 2020-05-28 US disclosed
US-20200168910-A1 APPLICATIONS OF LOW-COST, THERMAL AND ELECTROCHEMICALLY STABLE ORGANIC COMPOUNDS AS HIGH PERFORMANCE REDOX ACTIVE MATERIALS IN REDOX FLOW BATTERIES UTAH STATE UNIVERSITY (US) 2020-05-28 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-11271238-B2 Applications of low-cost, thermal and electrochemically stable organic compounds as high performance redox active materials in redox flow batteries PPOX, NOX4, PRDX2 MEN1 4680/4885TP53 1180/4885CYP1A2 172/4885
US-20200168910-A1 APPLICATIONS OF LOW-COST, THERMAL AND ELECTROCHEMICALLY STABLE ORGANIC COMPOUNDS AS HIGH PERFORMANCE REDOX ACTIVE MATERIALS IN REDOX FLOW BATTERIES PPOX, NOX4, PRDX2 MEN1 4680/4885TP53 1180/4885CYP1A2 172/4885

“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.