Hexamidine

Hexamidine

SCHEMBL128384

N=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
LMNA P02545 2/20 1.00
POLB P06746 2/20 1.00
RAB9A P51151 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
NPC1 O15118 1/20 1.00
MAPT P10636 1/20 1.00
ALOX15 P16050 1/20 1.00
BRCA1 P38398 1/20 1.00
HTT P42858 1/20 1.00
KDM4E B2RXH2 1/20 1.00
GMNN O75496 1/20 1.00
PKM P14618 1/20 1.00
THPO P40225 1/20 1.00
MTOR P42345 1/20 1.00
RECQL P46063 1/20 1.00
BLM P54132 1/20 1.00
HIF1A Q16665 1/20 1.00
PRMT1 Q99873 3/20 0.69
F2 P00734 2/20 0.69

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
Pentamidine SCHEMBL33615 1.00 ALDH1A1 (1.00) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
Hexamidine SCHEMBL985947 1.00 ALDH1A1 (1.00) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
Pentamidine SCHEMBL27719324 1.00 ALDH1A1 (1.00) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
Pentamidine SCHEMBL19462606 0.99 ALDH1A1 (0.97) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
Pentamidine SCHEMBL5014184 0.99 ALDH1A1 (0.97) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
Pentamidine SCHEMBL2658011 0.97 ALDH1A1 (0.95) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
Pentamidine SCHEMBL23063972 0.96 ALDH1A1 (0.92) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
Propamidine SCHEMBL293021 0.96 ALDH1A1 (0.92) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
Pentamidine SCHEMBL16050177 0.94 ALDH1A1 (0.88) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
Pentamidine SCHEMBL18007221 0.94 ALDH1A1 (0.88) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2

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 1671 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12433872-B2 Treatment of Acanthamoeba or Balamuthia trophozoites and/or cysts GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2025-10-07 US claimed
WO-2024127414-A1 A COSMETIC COMPOSITION FOR ACNE CONTROL AND METHODS THEREOF L'OREAL (FR) 2024-06-20 WO claimed
US-20230218641-A1 ANTI-ACNE COMPOSITIONS L'OREAL (FR) 2023-07-13 US claimed
CN-115916147-A Anti-acne composition 欧莱雅 2023-04-04 CN claimed
EP-4153127-A1 ANTI-ACNE COMPOSITIONS L'OREAL (FR) 2023-03-29 EP claimed
CN-115054539-A Preparation process of gel for diminishing inflammation and removing scars 湖南科洛克医药有限公司 2022-09-16 CN claimed
US-20220096441-A1 TREATMENT OF ACANTHAMOEBA OR BALAMUTHIA TROPHOZOITES AND/OR CYSTS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2022-03-31 US claimed
WO-2021234014-A1 ANTI-ACNE COMPOSITIONS L'OREAL (FR) 2021-11-25 WO claimed
CN-111973499-A Agent combination for skin care 西安博和医疗科技有限公司 2020-11-24 CN claimed
WO-2020081829-A1 TREATMENT OF ACANTHAMOEBA OR BALAMUTHIA TROPHOZOITES AND/OR CYSTS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2020-04-23 WO claimed
US-20040167479-A1 Hemorrhoid treatment pad THE PROCTER & GAMBLE COMPANY 2004-08-26 US claimed
US-20030078172-A1 Foaming cosmetic cream L'OREAL (FR) 2003-04-24 US claimed
CN-1404821-A Foaming cosmetic paste OREAL (FR) 2003-03-26 CN claimed
US-20020028222-A1 Use of fibers in a care composition or a make-up composition to make the skin matte L'OREAL (FR) 2002-03-07 US claimed
EP-0652774-B1 PHARMACEUTICAL COMPOSITION FOR TOPICAL USE CONTAINING A CROSSLINKED CATIONIC POLYMER AND AN ALKOXYLATED ETHER PROCTER & GAMBLE (US) 1997-05-07 EP claimed
US-5614178-A TRANSDERMAL THE PROCTER & GAMBLE COMPANY (US) 1997-03-25 US claimed
US-5093109-A For retarding effects of aging, anti-free radical ingredient, sunscreen agent, emulsion CHANEL, INC. (US) 1992-03-03 US claimed
EP-0093186-B1 PHARMACEUTICAL PREPARATION FOR THE TOPICAL TREATMENT OF ACNE RICHARDSON VICKS LIMITED (GB) 1986-07-09 EP claimed
US-4505924-A IMAZILIL AND HEXAMIDINE ISETHIONATE RICHARDSON-VICKS LTD. (GB) 1985-03-19 US claimed
EP-0093186-A1 Pharmaceutical preparation for the topical treatment of acne RICHARDSON VICKS LIMITED (GB) 1983-11-09 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-12433872-B2 Treatment of Acanthamoeba or Balamuthia trophozoites and/or cysts PKD2, PKD1, MUC1 ALDH1A1 3071/4885LMNA 3130/4885POLB 895/4885
US-20230218641-A1 ANTI-ACNE COMPOSITIONS CUTA, EBP, ACMSD ALDH1A1 819/4885LMNA 2543/4885POLB 182/4885
US-20220096441-A1 TREATMENT OF ACANTHAMOEBA OR BALAMUTHIA TROPHOZOITES AND/OR CYSTS PKD2, PKD1, MUC1 ALDH1A1 3071/4885LMNA 3130/4885POLB 895/4885

“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.