Chlorhexidine

Chlorhexidine

SCHEMBL6433032

Br.N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Chlorhexidine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 known ✓ Q01959 3/20 0.39
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HDAC8 Q9BY41 1/20 0.42
CNR1 P21554 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.38

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
Chlorhexidine SCHEMBL6437831 1.00 LMNA (0.45) LMNASMN1; SMN2HDAC8CNR1MEN1
Chlorhexidine SCHEMBL2152631 1.00 LMNA (0.45) LMNASMN1; SMN2HDAC8CNR1MEN1
Chlorhexidine SCHEMBL1550787 0.98 LMNA (0.46) LMNASMN1; SMN2HDAC8CNR1MEN1
Chlorhexidine SCHEMBL3984 0.98 LMNA (0.46) LMNASMN1; SMN2HDAC8CNR1MEN1
SCHEMBL6365499 0.98 LMNA (0.46) LMNASMN1; SMN2HDAC8CNR1MEN1
Chlorhexidine SCHEMBL1551122 0.98 LMNA (0.46) LMNASMN1; SMN2HDAC8CNR1MEN1
Chlorhexidine SCHEMBL23117798 0.97 LMNA (0.45) LMNASMN1; SMN2HDAC8CNR1MEN1
Chlorhexidine SCHEMBL10808378 0.97 SMN1; SMN2 (0.45) LMNASMN1; SMN2HDAC8CNR1MEN1
Chlorhexidine SCHEMBL21226467 0.97 LMNA (0.45) LMNASMN1; SMN2HDAC8CNR1MEN1
Chlorhexidine SCHEMBL1147274 0.97 LMNA (0.45) LMNASMN1; SMN2HDAC8CNR1MEN1

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
CN-108484571-B Salts and solid forms of compounds, compositions comprising the same and methods of use thereof 细胞基因公司 2021-08-17 CN disclosed
US-6844306-B2 Water-soluble, chlorhexidine-containing compositions and use thereof DEGUSSA AG (DE) 2005-01-18 US disclosed
US-20020072480-A1 Water-soluble, chlorhexidine-containing compositions and use thereof DEGUSSA AG (DE) 2002-06-13 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-20020072480-A1 Water-soluble, chlorhexidine-containing compositions and use thereof SI, PEF1, MGAM SLC6A3 3425/4885LMNA 2666/4885SMN1; SMN2 3813/4885

“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.