SCHEMBL1820546

SCHEMBL1820546

N=C(N)c1ccc(OCCCCCCCCOc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 3/20 0.86
F2 P00734 3/20 0.86
ST14 Q9Y5Y6 2/20 0.86
TMPRSS2 O15393 2/20 0.86
PLG P00747 2/20 0.86
PLAU P00749 1/20 0.86
PRMT5 O14744 1/20 0.86
SLC22A2 O15244 1/20 0.86
SLC22A1 O15245 1/20 0.86
PTP4A3 O75365 1/20 0.86
SLC22A3 O75751 1/20 0.86
F10 P00742 1/20 0.86
S100B P04271 1/20 0.86
CHRM2 P08172 1/20 0.86
CHRM4 P08173 1/20 0.86
CHRM5 P08912 1/20 0.86
ADRA2A P08913 1/20 0.86
CYP2D6 P10635 1/20 0.86
AOC1 P19801 1/20 0.86
MAOA P21397 1/20 0.86

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 SCHEMBL3329 0.93 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLG
SCHEMBL14599631 0.93 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLG
Heptamidine SCHEMBL14599630 0.93 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLG
SCHEMBL14599639 0.93 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLG
Hexamidine SCHEMBL144738 0.93 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLG
SCHEMBL14599628 0.93 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLG
Pentamidine SCHEMBL7060561 0.91 PRSS1 (1.00) PRMT1F2ST14TMPRSS2PLG
Pentamidine SCHEMBL3227 0.91 PRSS1 (1.00) PRMT1F2ST14TMPRSS2PLG
Hexamidine SCHEMBL3629982 0.91 PRSS1 (1.00) PRMT1F2ST14TMPRSS2PLG
Hexamidine SCHEMBL306398 0.91 PRMT1 (0.96) PRMT1F2ST14TMPRSS2PLG

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994225-B2 Combination of an antibiotic and a drug such as pentamidine or salts thereof to treat drug resistant eye and ear infections REMPEX PHARMACEUTICALS, INC. (US) 2011-08-09 US disclosed
US-7947741-B2 Use and administration of bacterial efflux pump inhibitors MPEX PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-20080132457-A1 BACTERIAL EFFLUX PUMP INHIBITORS FOR THE TREATMENT OF OPHTHALMIC AND OTIC INFECTIONS SILICON VALLEY BANK 2008-06-05 US disclosed
US-20070021483-A1 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-01-25 US disclosed
US-20070021483-A1 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-01-25 US disclosed
US-20060276473-A1 Use and administration of bacterial efflux pump inhibitors REMPEX PHARMACEUTICALS, INC. 2006-12-07 US disclosed
US-4619942-A Inhibition of Respiratory Syncytial virus-induced cell fusion by amidino compounds UNIVERSITY OF NORTH CAROLINA (US) 1986-10-28 US disclosed
US-4397863-A PROPHYLAXIS RESEARCH TRIANGLE INSTITUTE (US) 1983-08-09 US disclosed
US-4324794-A PREVENTION OF EPIDEMICS BY PROPHYLACTIC ADMINISTRATION RESEARCH TRIANGLE INSTITUTE (US) 1982-04-13 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 (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-20060276473-A1 Use and administration of bacterial efflux pump inhibitors ABCB11, ABCC1, ABCB1 PRMT1 4111/4885F2 4870/4885ST14 2585/4885
US-20080132457-A1 BACTERIAL EFFLUX PUMP INHIBITORS FOR THE TREATMENT OF OPHTHALMIC AND OTIC INFECTIONS ABCB11, SLC47A2, SLC47A1 PRMT1 4691/4885F2 4843/4885ST14 2322/4885
US-20070021483-A1 Amidine derivatives for treating amyloidosis APP, IAPP, GRN PRMT1 194/4885F2 3712/4885ST14 3028/4885

“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.