Chlorhexidine

Chlorhexidine

SCHEMBL2297671

N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1.N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1.O=C(O)CCC(=O)O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1CDK4CDK6CHRM2CHRM3DPP4DRD2DRD3DRD4EGFRHRH1HTR1BHTR1DHTR1FHTR2AHTR2CHTR4SLC6A2SLC6A4

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 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
FOLH1 Q04609 1/20 0.48
HDAC8 Q9BY41 2/20 0.45
CNR1 P21554 4/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A3 Q01959 3/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
MAPK1 P28482 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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 SCHEMBL245334 1.00 ALDH1A1 (0.51) ALDH1A1POLBFOLH1HDAC8CNR1
Chlorhexidine SCHEMBL247291 0.93 CNR1 (0.46) ALDH1A1POLBFOLH1HDAC8CNR1
Chlorhexidine SCHEMBL4173718 0.93 CNR1 (0.48) ALDH1A1POLBFOLH1HDAC8CNR1
Chlorhexidine SCHEMBL15874034 0.92 ALDH1A1 (0.47) ALDH1A1POLBFOLH1HDAC8SLC6A3
Chlorhexidine SCHEMBL9420015 0.92 ALDH1A1 (0.46) ALDH1A1POLBFOLH1HDAC8CNR1
Chlorhexidine SCHEMBL2152457 0.92 CNR1 (0.47) ALDH1A1POLBFOLH1HDAC8CNR1
Chlorhexidine SCHEMBL4250265 0.92 SMN1; SMN2 (0.45) ALDH1A1POLBFOLH1HDAC8CNR1
Chlorhexidine SCHEMBL247105 0.91 LMNA (0.45) ALDH1A1POLBFOLH1HDAC8CNR1
Chlorhexidine SCHEMBL2975314 0.90 CNR1 (0.48) ALDH1A1POLBFOLH1HDAC8CNR1
Chlorhexidine SCHEMBL12044 0.90 CNR1 (0.48) ALDH1A1POLBFOLH1HDAC8CNR1

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
WO-2011103440-A1 SKIN DISINFECTANT COMPOSITION AND METHODS FOR MANUFACTURING AND USING SKINVISIBLE PHARMACEUTICALS, INC. (US) 2011-08-25 WO disclosed
US-20110207832-A1 SKIN DISINFECTANT COMPOSITION AND METHODS FOR MANUFACTURING AND USING SKINVISIBLE PHARMACEUTICALS, INC. (US) 2011-08-25 US disclosed
US-20070160559-A1 Skin disinfectant composition and methods for using SKINVISIBLE PHARMACEUTICALS, INC. 2007-07-12 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-20070160559-A1 Skin disinfectant composition and methods for using CUTA, DSG1, POLR1C ALDH1A1 820/4885POLB 62/4885FOLH1 4141/4885
US-20110207832-A1 SKIN DISINFECTANT COMPOSITION AND METHODS FOR MANUFACTURING AND USING CUTA, POLL, POLR1C ALDH1A1 353/4885POLB 27/4885FOLH1 4558/4885

“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.