Dequalinium

Dequalinium

SCHEMBL29577841

Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 13/20 1.00
MEN1 O00255 4/20 1.00
GMNN O75496 4/20 1.00
LMNA P02545 4/20 1.00
POLB P06746 4/20 1.00
MAPT P10636 4/20 1.00
APEX1 P27695 4/20 1.00
RECQL P46063 4/20 1.00
BLM P54132 4/20 1.00
PMP22 Q01453 4/20 1.00
KMT2A Q03164 4/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
NPSR1 Q6W5P4 4/20 1.00
TDP1 Q9NUW8 4/20 1.00
ALDH1A1 P00352 3/20 1.00
TP53 P04637 3/20 1.00
CYP3A4 P08684 3/20 1.00
HSD17B10 Q99714 3/20 1.00
CYP2D6 P10635 2/20 1.00
ALOX15 P16050 2/20 1.00

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
SCHEMBL6299633 1.00 PRKCA (1.00) PRKCAMEN1GMNNLMNAPOLB
SCHEMBL6305111 1.00 PRKCA (1.00) PRKCAMEN1GMNNLMNAPOLB
SCHEMBL6298118 1.00 PRKCA (1.00) PRKCAMEN1GMNNLMNAPOLB
Dequalinium SCHEMBL149457 1.00 PRKCA (1.00) PRKCAMEN1GMNNLMNAPOLB
Dequalinium SCHEMBL29557297 1.00 PRKCA (1.00) PRKCAMEN1GMNNLMNAPOLB
Dequalinium SCHEMBL2335922 0.98 PRKCA (1.00) PRKCAMEN1GMNNLMNAPOLB
Dequalinium SCHEMBL2544854 0.98 MEN1 (1.00) PRKCAMEN1GMNNLMNAPOLB
Dequalinium SCHEMBL1008339 0.98 PRKCA (0.97) PRKCAMEN1GMNNLMNAPOLB
Dequalinium SCHEMBL29613054 0.98 MEN1 (1.00) PRKCAMEN1GMNNLMNAPOLB
Dequalinium SCHEMBL34043 0.98 MEN1 (1.00) PRKCAMEN1GMNNLMNAPOLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3806661-B1 USE OF ANTAGONISTS OF T2R54 FIRMENICH INCORPORATED (US) 2025-07-02 EP disclosed
EP-4566459-A2 ANTAGONISTS OF T2R54 AND COMPOSITIONS AND USES THEREOF Firmenich Incorporated (US) 2025-06-11 EP disclosed
US-12295396-B2 Antagonists of T2R54 and compositions and uses thereof FIRMENICH INCORPORATED (US) 2025-05-13 US disclosed
US-20240114942-A1 Antagonists of T2R54 and Compositions and Uses Thereof FIRMENICH INCORPORATED (US) 2024-04-11 US disclosed
US-11871772-B2 Antagonists of T2R54 and compositions and uses thereof FIRMENICH INCORPORATED (US) 2024-01-16 US disclosed
EP-4165152-A1 TEXTILE TREATMENT COMPOSITIONS Enviro Specialty Chemicals Inc. (US) 2023-04-19 EP disclosed
US-20220330591-A1 ANTAGONISTS OF T2R54 AND COMPOSITIONS AND USES THEREOF FIRMENICH INCORPORATED (US) 2022-10-20 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 (4 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-11871772-B2 Antagonists of T2R54 and compositions and uses thereof TAS2R50, TAS2R30, TAS2R60 PRKCA 2447/4885MEN1 4033/4885GMNN 1849/4885
US-12295396-B2 Antagonists of T2R54 and compositions and uses thereof TAS2R50, TAS2R30, TAS2R60 PRKCA 2447/4885MEN1 4033/4885GMNN 1849/4885
US-20240114942-A1 Antagonists of T2R54 and Compositions and Uses Thereof TAS2R50, TAS2R30, TAS2R60 PRKCA 2447/4885MEN1 4033/4885GMNN 1849/4885
US-20220330591-A1 ANTAGONISTS OF T2R54 AND COMPOSITIONS AND USES THEREOF TAS2R50, TAS2R30, TAS2R60 PRKCA 2447/4885MEN1 4033/4885GMNN 1849/4885

“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.