SCHEMBL5495387

SCHEMBL5495387

C=CC(OC(=O)OC(C=C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ TGM2 P21980 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ CES1 P23141 1/20 0.42
▸ SRD5A2 P31213 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL5495389 0.89 TDP1 (0.47) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL14703649 0.83 MGLL (0.48) KMT2AMEN1MAPTALDH1A1SRD5A2
SCHEMBL8408254 0.83 ALDH1A1 (0.43) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL29071441 0.82 ACP3 (0.46) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL5603510 0.77 ALDH1A1 (0.39) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL25331852 0.75 ALDH1A1 (0.47) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL11592383 0.75 NPC1 (0.50) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL6691324 0.74 ALDH1A1 (0.53) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL6580423 0.73 MAPT (0.55) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL30549421 0.73 SMN1; SMN2 (0.46) KMT2AMEN1MAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242059-B1 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES UNIV NORTH CAROLINA (US) 2007-03-21 — — EP disclosed
US-6649652-B2 Hypotensive agents; hyperglycemic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2003-11-18 — — US disclosed
US-20030092755-A1 Novel prodrugs for antimicrobial amidines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-15 — — US disclosed
US-6503940-B2 Aids therapy THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2003-01-07 — — US disclosed
US-6486200-B1 Prodrugs for antimicrobial amidines THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2002-11-26 — — US disclosed
EP-1242059-A2 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2002-09-25 — — EP disclosed
US-20020019437-A1 Novel prodrugs for antimicrobial amidines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-02-14 — — US disclosed
WO-2001003685-A2 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2001-01-18 — — 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-20030092755-A1 Novel prodrugs for antimicrobial amidines NR1H3, APEH, NR1H2 KMT2A 3680/4885MEN1 4773/4885MAPT 4868/4885
US-20020019437-A1 Novel prodrugs for antimicrobial amidines NR1H3, APEH, NR1H2 KMT2A 3680/4885MEN1 4773/4885MAPT 4868/4885

“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.

Send feedback