Pentamidine

Pentamidine

SCHEMBL1683237

CS(=O)(=O)O.CS(=O)(=O)O.N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of Pentamidine. 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
F2 known ✓ P00734 2/20 0.77
ADRA2A known ✓ P08913 1/20 0.77
DRD1 known ✓ P21728 1/20 0.77
SLC6A2 known ✓ P23975 1/20 0.77
HTR2A known ✓ P28223 1/20 0.77
HTR2C known ✓ P28335 1/20 0.77
SLC6A4 known ✓ P31645 1/20 0.77
ADRA1A known ✓ P35348 1/20 0.77
DRD3 known ✓ P35462 1/20 0.77
SLC6A3 known ✓ Q01959 1/20 0.77
GRIN1 known ✓ Q05586 1/20 0.77
GRIN2A known ✓ Q12879 1/20 0.77
PRMT1 Q99873 3/20 0.77
ST14 Q9Y5Y6 2/20 0.77
TMPRSS2 O15393 2/20 0.77
PLAU P00749 1/20 0.77
PRMT5 O14744 1/20 0.77
SLC22A2 O15244 1/20 0.77
SLC22A1 O15245 1/20 0.77
PTP4A3 O75365 1/20 0.77

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 SCHEMBL27531881 1.00 PRMT1 (0.77) PRMT1F2ST14TMPRSS2PLAU
Pentamidine SCHEMBL9701269 0.93 PRMT1 (0.83) PRMT1F2ST14TMPRSS2PLAU
Pentamidine SCHEMBL28765996 0.92 ALDH1A1 (0.76) PRMT1F2ST14TMPRSS2PLAU
Pentamidine SCHEMBL28351858 0.88 PRMT1 (0.69) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL9547468 0.88 LTB4R (0.61) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL9547435 0.88 LTB4R (0.61) PRMT1F2ST14TMPRSS2PLAU
Pentamidine SCHEMBL3329 0.88 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLAU
Heptamidine SCHEMBL14599630 0.88 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL14599639 0.88 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLAU
Hexamidine SCHEMBL144738 0.88 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210378992-A1 METHODS FOR TREATING A SUBTYPE OF SMALL CELL LUNG CANCER AURANSA INC. 2021-12-09 US claimed
WO-2020082037-A1 METHODS FOR TREATING A SUBTYPE OF SMALL CELL LUNG CANCER AURANSA INC. (US) 2020-04-23 WO claimed
US-6693125-B2 ADMINISTERING THE DRUGS PENTAMIDINE, AND ONE OF ALBENDAZOLE, MEBENDAZOLE, OR OXIBENDAZOLE; SYNERGISTIC COMBINATORX INCORPORATED 2004-02-17 US claimed
CN-120131572-A Loratadine tablet and preparation process thereof 天方药业有限公司 2025-06-13 CN disclosed
US-20210378992-A1 METHODS FOR TREATING A SUBTYPE OF SMALL CELL LUNG CANCER AURANSA INC. 2021-12-09 US disclosed
WO-2020082037-A1 METHODS FOR TREATING A SUBTYPE OF SMALL CELL LUNG CANCER AURANSA INC. (US) 2020-04-23 WO disclosed
US-20180296530-A1 METHOD FOR TREATING ATOPIC DERMATITIS CHIANG BOR LUEN (TW) 2018-10-18 US disclosed
US-20130108660-A1 ANTI-TRYPANOSOME THERAPEUTIC AND DIAGNOSTIC APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-05-02 US disclosed
CN-102834381-A Pyridoxine derivatives for the inhibition of HIV integrase TAIMED BIOLOG INC 2012-12-19 CN disclosed
US-20120276131-A1 ANTI-TRYPANOSOMIASIS VACCINES AND DIAGNOSTICS UNIVERSITE BORDEAUX SEGALEN (FR) 2012-11-01 US disclosed
WO-2011042565-A2 ANTIPROTOZOAL ACTIVITY INSTITUUT VOOR TROPISCHE GENEESKUNDE (BE) 2011-04-14 WO disclosed
WO-2006053162-A1 PTPASE INHIBITORS AND T-CELL ACTIVATORS FOR TREATING CANCER THE CLEVELAND CLINIC FOUNDATION (US) 2006-05-18 WO disclosed
US-20050215629-A1 PTPase inhibitors and methods of using the same NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2005-09-29 US disclosed
US-20030161893-A1 PTPase inhibitors and methods of using the same CLEVELAND CLINIC FOUNDATION, THE 2003-08-28 US disclosed
WO-2003063788-A2 PTPase INHIBITORS AND METHODS OF USING THE SAME THE CLEVELAND CLINIC FOUNDATION (US) 2003-08-07 WO disclosed
US-20020150964-A1 Peptides for the activation of the immune system in humans and animals CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE 2002-10-17 US disclosed
US-6440690-B1 ADMINISTERING CATIONIC AMPHIPATHIC PEPTIDE (DERMASEPTIN FOR EXAMPLE) IN GIVEN DOSAGE Mor, Amram (IL) 2002-08-27 US disclosed
EP-0600915-B1 BOX-BASED COMPOSITION FOR TREATING HIV (HUMAN IMMUNODEFICIENCY VIRUS) INFECTION UNIV NICE SOPHIA ANTIPOLIS (FR) 1997-11-12 EP disclosed
EP-0600915-A1 BOX-BASED COMPOSITION FOR TREATING HIV (HUMAN IMMUNODEFICIENCY VIRUS) INFECTION UNIVERSITE DE NICE-SOPHIA ANTIPOLIS (FR) 1994-06-15 EP disclosed
WO-1993000916-A1 BOX-BASED COMPOSITION FOR TREATING HIV (HUMAN IMMUNODEFICIENCY VIRUS) INFECTION UNIVERSITE DE NICE SOPHIA ANTIPOLIS (FR) 1993-01-21 WO 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-20210378992-A1 METHODS FOR TREATING A SUBTYPE OF SMALL CELL LUNG CANCER RNMT, SLC17A5, TSG101 F2 4882/4885ADRA2A 2525/4885DRD1 4027/4885
US-20180296530-A1 METHOD FOR TREATING ATOPIC DERMATITIS MTNR1A, MTNR1B, TSLP F2 3034/4885ADRA2A 453/4885DRD1 2254/4885

“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.