Pentamidine Dao

Pentamidine Dao

SCHEMBL548448

N=C(NO)c1ccc(OCCCCCOc2ccc(C(=N)NO)cc2)cc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 3/20 0.61
F2 P00734 2/20 0.61
ST14 Q9Y5Y6 2/20 0.61
TMPRSS2 O15393 2/20 0.61
PLAU P00749 1/20 0.61
PRMT5 O14744 1/20 0.61
SLC22A2 O15244 1/20 0.61
SLC22A1 O15245 1/20 0.61
PTP4A3 O75365 1/20 0.61
SLC22A3 O75751 1/20 0.61
F10 P00742 1/20 0.61
PLG P00747 1/20 0.61
S100B P04271 1/20 0.61
CHRM2 P08172 1/20 0.61
CHRM4 P08173 1/20 0.61
CHRM5 P08912 1/20 0.61
ADRA2A P08913 1/20 0.61
CYP2D6 P10635 1/20 0.61
AOC1 P19801 1/20 0.61
MAOA P21397 1/20 0.61

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
SCHEMBL548439 0.98 PRSS1 (0.60) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL549185 0.94 TMPRSS2 (0.60) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL6510086 0.92 TP53 (0.59) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL5543953 0.92 PRMT1 (0.53) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL15020066 0.92 TP53 (0.59) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL7341007 0.92 TP53 (0.59) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL8718224 0.90 TP53 (0.57) PRSS1GAA
SCHEMBL6407420 0.89 MMP1 (0.56) TMPRSS2CYP2D6PRSS1GAA
SCHEMBL20332718 0.89 TMPRSS2 (0.55) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL409427 0.87 NR1I2 (0.53) 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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms BORISY ALEXIS 2007-05-03 US claimed
EP-1651211-A4 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX INC (US) 2006-11-22 EP claimed
EP-1651211-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2006-05-03 EP claimed
CN-1681511-A Combinations of drugs for the treatment of neoplasms COMBINATORX INC (US) 2005-10-12 CN claimed
EP-1545544-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2005-06-29 EP claimed
US-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2005-04-14 US claimed
WO-2005020913-A2 FORMULATIONS, CONJUGATES, AND COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-03-10 WO claimed
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms COMINATORX, INCORPORATED 2005-03-10 US claimed
WO-2005011572-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-02-10 WO claimed
US-20040116407-A1 Combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2004-06-17 US claimed
WO-2004006842-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO claimed
WO-2004006849-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO claimed
US-20010044468-A1 Benzamidoxime prodrugs as antipneumocystic agents HALL JAMES E (US) 2001-11-22 US claimed
US-6214883-B1 BIS//N-HYDROXYAMIDINO/PHENOXY OR -THIO/ALKANES REDUCED AFTER ORAL ADMINISTRATION TO THE CORRESPONDING MONO- OR BISAMIDINES THE GEORGIA STATE UNIVERSITY 2001-04-10 US claimed
EP-0861071-A1 BENZAMIDOXIME PRODRUGS AS ANTIPNEUMOCYSTIC AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-09-02 EP claimed
US-5723495-A TREATMENT OF PNEUMONIA THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-03-03 US claimed
WO-1997017949-A1 BENZAMIDOXIME PRODRUGS AS ANTIPNEUMOCYSTIC AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-05-22 WO claimed
EP-1891013-B1 TETRAHYDROQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-07-23 EP disclosed
US-5723495-A TREATMENT OF PNEUMONIA THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-03-03 US disclosed
WO-1997017949-A1 BENZAMIDOXIME PRODRUGS AS ANTIPNEUMOCYSTIC AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-05-22 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 (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-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms ABCB1, SLCO1B3, SLCO1B1 PRMT1 2728/4885F2 4176/4885ST14 844/4885
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC PRMT1 2584/4885F2 2085/4885ST14 508/4885
US-20010044468-A1 Benzamidoxime prodrugs as antipneumocystic agents BHMT, BBOX1, BCHE PRMT1 500/4885F2 3064/4885ST14 2358/4885
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms TYMP, DPYD, DHFR PRMT1 1095/4885F2 3907/4885ST14 384/4885

“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.