SCHEMBL3556745

SCHEMBL3556745

O=[N+]([O-])c1cccc(/C(Cl)=N/OCCCN2CCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
LTA4H P09960 1/20 0.47
PTGS2 P35354 1/20 0.47
LMNA P02545 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
RAD52 P43351 1/20 0.46
SLC6A2 P23975 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
SIGMAR1 Q99720 3/20 0.42

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
SCHEMBL3064562 1.00 POLB (0.50) POLBLTA4HPTGS2LMNAKMT2A
SCHEMBL3064563 1.00 POLB (0.50) POLBLTA4HPTGS2LMNAKMT2A
Hydrochloric Acid SCHEMBL3067119 0.99 POLB (0.49) POLBLTA4HPTGS2LMNAKMT2A
Hydrochloric Acid SCHEMBL3067120 0.99 POLB (0.49) POLBLTA4HPTGS2LMNAKMT2A
Hydrochloric Acid SCHEMBL7218972 0.99 POLB (0.49) POLBLTA4HPTGS2LMNAKMT2A
SCHEMBL5698976 0.87 ALDH1A1 (0.53) POLBLTA4HPTGS2LMNAKMT2A
Hydrochloric Acid SCHEMBL3055264 0.86 ALDH1A1 (0.53) POLBLTA4HPTGS2LMNAKMT2A
SCHEMBL7206301 0.82 HRH3 (0.52) LTA4HHRH3ALDH1A1KDM4ERAB9A
SCHEMBL7206298 0.82 HRH3 (0.52) LTA4HHRH3ALDH1A1KDM4ERAB9A
Hydrochloric Acid SCHEMBL7201657 0.81 HRH3 (0.51) LTA4HSLC6A2HRH3ALDH1A1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003045387-A1 PHARMACEUTICAL COMPOSITION WITH COMBINED ACTIVE AGENTS CONTAINING METFORMIN AND A HYDROXYLAMINE DERIVATIVE BIOREX KUTATÓ ÉS FEJLESZTÖ RT. (HU) 2003-06-05 WO claimed
US-7691849-B2 Carboxamidine derivatives and their use in the treatment of vascular diseases CYTRX CORPORATION (US) 2010-04-06 US disclosed
US-20090253690-A1 PHARMACEUTICALLY EFFECTIVE COMPOUNDS CYTRX CORPORATION (US) 2009-10-08 US disclosed
US-7550457-B2 Pharmaceutically effective compounds CYTRX CORPORATION (US) 2009-06-23 US disclosed
US-20090075993-A1 Pharmaceutically effective compounds KEMPHARM, INC. 2009-03-19 US disclosed
US-7384936-B2 Carboxamidine derivatives and their use in the treatment of vascular diseases CYTRX CORPORATION (US) 2008-06-10 US disclosed
US-7361655-B2 Pharmaceutically effective compounds CYTRX CORPORATION (US) 2008-04-22 US disclosed
US-20080058323-A1 PHARMACEUTICALLY EFFECTIVE COMPOUNDS KEMPHARM, INC. 2008-03-06 US disclosed
EP-0966283-B1 PHARMACEUTICAL PRODUCTS FOR CURING AND PREVENTING DISEASES RESULTING FROM THE DAMAGING OF THE VASCULAR ENDOTHELIAL CELLS CYTRX CORP (US) 2006-06-14 EP disclosed
US-20060058294-A1 Carboxamidine derivatives and their use in the treatment of vascular diseases KEMPHARM, INC. 2006-03-16 US disclosed
US-20050043295-A1 Pharmaceutically effective compounds KEMPHARM, INC. 2005-02-24 US disclosed
EP-1492763-A1 CARBOXAMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF VASCULAR DISEASES BIOREX KUTATO ES FEJLESZTÖ RT. (HU) 2005-01-05 EP disclosed
WO-2003057664-A1 CARBOXAMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF VASCULAR DISEASES BIOREX KUTATÓ ÉS FEJLESZTÖ RT. (HU) 2003-07-17 WO disclosed
WO-2003045387-A1 PHARMACEUTICAL COMPOSITION WITH COMBINED ACTIVE AGENTS CONTAINING METFORMIN AND A HYDROXYLAMINE DERIVATIVE BIOREX KUTATÓ ÉS FEJLESZTÖ RT. (HU) 2003-06-05 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 (5 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-20090253690-A1 PHARMACEUTICALLY EFFECTIVE COMPOUNDS PCSK9, SIRT5, ADCY5 POLB 3122/4885LTA4H 809/4885PTGS2 497/4885
US-20090075993-A1 Pharmaceutically effective compounds SIRT5, PCSK9, CNR2 POLB 3442/4885LTA4H 543/4885PTGS2 618/4885
US-20060058294-A1 Carboxamidine derivatives and their use in the treatment of vascular diseases SIRT5, PDXK, TEK POLB 1949/4885LTA4H 1242/4885PTGS2 881/4885
US-20050043295-A1 Pharmaceutically effective compounds PCSK9, SIRT5, ADCY5 POLB 3122/4885LTA4H 809/4885PTGS2 497/4885
US-20080058323-A1 PHARMACEUTICALLY EFFECTIVE COMPOUNDS PCSK9, SIRT5, ADCY5 POLB 3122/4885LTA4H 809/4885PTGS2 497/4885

“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.