SCHEMBL5052608

SCHEMBL5052608

N=C(N)NCCC[C@H](N)C(=O)N(C(=O)OCc1ccccc1)[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
PPIA P62937 2/20 0.40
LTA4H P09960 1/20 0.38
PPIF P30405 1/20 0.38
RAB9A P51151 2/20 0.38
SSTR3 P32745 1/20 0.37
ALDH1A1 P00352 3/20 0.37
ANPEP P15144 1/20 0.37
LMNA P02545 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACHE P22303 1/20 0.37
NPC1 O15118 1/20 0.36
TGM2 P21980 1/20 0.36

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
SCHEMBL2007479 0.94 PPIA (0.43) KMT2AMEN1MAPTDPP8DPP9
Hydrochloric Acid SCHEMBL10946501 0.92 ALDH1A1 (0.41) KMT2AMEN1MAPTDPP8DPP9
Hydrochloric Acid SCHEMBL7768946 0.90 DPP8 (0.38) KMT2AMEN1MAPTDPP8DPP9
SCHEMBL11016662 0.87 PPIA (0.42) KMT2AMEN1MAPTDPP8DPP9
SCHEMBL5052635 0.86 PPIA (0.42) KMT2AMEN1MAPTDPP8DPP9
SCHEMBL8006884 0.86 ALDH1A1 (0.37) KMT2AMEN1MAPTDPP8DPP9
SCHEMBL7130463 0.85 LTA4H (0.39) MAPTDPP8LTA4HALDH1A1ANPEP
Acetic Acid SCHEMBL9450665 0.85 ALDH1A1 (0.36) KMT2AMEN1MAPTDPP8DPP9
SCHEMBL8995288 0.84 SSTR3 (0.46) SSTR3
Acetic Acid SCHEMBL179930 0.83 LTA4H (0.36) DPP8DPP9PPIALTA4HSSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008048288-A2 NOVEL NANOPARTICLES AND USE THEREOF MONTANA STATE UNIVERSITY (US) 2008-04-24 WO disclosed
US-20070258889-A1 NOVEL NANOPARTICLES AND USE THEREOF MONTANA STATE UNIVERSITY (US) 2007-11-08 US disclosed
EP-1613351-A1 TARGETED AGENTS FOR BOTH PHOTODIAGNOSIS AND PHOTODYNAMIC THERAPY MPA Technologies, Inc. (US) 2006-01-11 EP disclosed
EP-1558137-A2 FUNCTIONAL MRI AGENTS FOR CANCER IMAGING Research Corporation Technologies (US) 2005-08-03 EP disclosed
US-20040247527-A1 Multifunctional photodynamic agents for treating of disease MPA TECHNOLOGIES, INC. 2004-12-09 US disclosed
WO-2004080483-A1 TARGETED AGENTS FOR BOTH PHOTODIAGNOSIS AND PHOTODYNAMIC THERAPY MPA TECHNOLOGIES, INC. (US) 2004-09-23 WO disclosed
US-20040146463-A1 Functional MRI agents for cancer imaging NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-07-29 US disclosed
WO-2004037210-A2 FUNCTIONAL MRI AGENTS FOR CANCER IMAGING RESEARCH CORPORATION TECHNOLOGIES (US) 2004-05-06 WO disclosed
US-6673333-B1 COMPRISING A FIRST GD(III) ION BOUND TO A FIRST CHELATOR; GD(III) ION HAS COORDINATION ATOMS IN AT LEAST 7 COORDINATION SITES; BOUND TO TUMOR ASSOCIATED ACTIVATIVLE GUARDING MOIETY RESEARCH CORPORATION TECHNOLOGIES, INC. 2004-01-06 US disclosed
US-20030021750-A1 Novel functional agents for magnetic resonance imaging METAPROBE, INC. 2003-01-30 US disclosed
EP-1278552-A2 FUNCTIONAL MRI AGENTS FOR CANCER IMAGING RESEARCH CORPORATION TECHNOLOGIES (US) 2003-01-29 EP disclosed
WO-2002080757-A2 NOVEL FUNCTIONAL AGENTS FOR MAGNETIC RESONANCE IMAGING METAPROBE, INC. (US) 2002-10-17 WO disclosed
WO-2001082976-A2 FUNCTIONAL MRI AGENTS FOR CANCER IMAGING RESEARCH CORPORATION TECHNOLOGIES (US) 2001-11-08 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 (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-20070258889-A1 NOVEL NANOPARTICLES AND USE THEREOF EEA1, RAB5IF, CD47 KMT2A 4431/4885MEN1 2550/4885MAPT 828/4885
US-20030021750-A1 Novel functional agents for magnetic resonance imaging FABP7, RXFP1, MRGPRX2 KMT2A 4062/4885MEN1 1233/4885MAPT 3288/4885
US-20040146463-A1 Functional MRI agents for cancer imaging TSG101, SMARCE1, SMARCA1 KMT2A 847/4885MEN1 61/4885MAPT 3499/4885

“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.