SCHEMBL4357291

SCHEMBL4357291

NCCCC[C@@H](C(=O)Oc1ccc([N+](=O)[O-])cc1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPOR P19235 3/20 0.46
▸ HTR2A P28223 1/20 0.43
▸ MC4R P32245 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ SSTR3 P32745 1/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL30605860 0.93 EPOR (0.42) EPORHTR2AMC4RALDH1A1SMN1; SMN2
SCHEMBL10432184 0.89 MC4R (0.47) EPORMC4RRAB9ANPC1SSTR3
SCHEMBL11054264 0.83 MAPT (0.50) EPORHTR2AMC4RRAB9ANPC1
SCHEMBL11182740 0.82 MAPT (0.51) HTR2AMC4RRAB9ANPC1SSTR3
SCHEMBL7959193 0.82 GAA (0.43) HTR2AALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL4391556 0.82 GAA (0.43) HTR2AALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL16494584 0.80 HDAC1 (0.55) SSTR3HDAC1HDAC2
SCHEMBL648254 0.80 HDAC1 (0.55) SSTR3HDAC1HDAC2
SCHEMBL27584149 0.80 EPOR (0.48) EPORLTA4H
Hydrochloric Acid SCHEMBL28627653 0.79 HDAC1 (0.54) SSTR3HDAC1HDAC2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2194063-B1 Production and use of modified polylysines BASF SE (DE) 2014-01-08 — — EP disclosed
EP-2111236-A2 NOVEL CASCADE POLYMER COMPLEXES, METHOD FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THE SAME Bayer Schering Pharma Aktiengesellschaft (DE) 2009-10-28 — — EP disclosed
US-20080213187-A1 NOVEL CASCADE POLYMER COMPLEXES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM EPIX PHARMACEUTICALS, INC. 2008-09-04 — — US disclosed
WO-2008087017-A2 NOVEL CASCADE POLYMER COMPLEXES, METHOD FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THE SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-24 — — WO disclosed
US-7211241-B2 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-01 — — US disclosed
US-6861043-B2 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes SCHERING AG (DE) 2005-03-01 — — US disclosed
US-20040091426-A1 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-05-13 — — US disclosed
EP-0946525-B1 METHOD FOR PRODUCING METAL COMPLEX CARBOXYLIC ACID AMIDES SCHERING AG (DE) 2004-04-07 — — EP disclosed
EP-0946526-B1 MACROCYCLIC METAL COMPLEX CARBOXYLIC ACIDS, USE AND METHOD FOR THE PRODUCTION THEREOF SCHERING AG (DE) 2003-10-29 — — EP disclosed
EP-0768898-B1 CASCADE-POLYMER COMPLEXES AND METHODS OF PRODUCING THE SAME SCHERING AG (DE) 2003-04-09 — — EP disclosed
EP-0868202-A1 CASCADE POLYMER COMPLEXES, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1998-10-07 — — EP disclosed
WO-1998024774-A1 MACROCYCLIC METAL COMPLEX CARBOXYLIC ACIDS, USE AND METHOD FOR THE PRODUCTION THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 1998-06-11 — — WO disclosed
WO-1998024775-A1 METHOD FOR PRODUCING METAL COMPLEX CARBOXYLIC ACID AMIDES SCHERING AKTIENGESELLSCHAFT (DE) 1998-06-11 — — WO disclosed
EP-0836485-A2 CASCADE POLYMER COMPLEXES SCHERING AKTIENGESELLSCHAFT (DE) 1998-04-22 — — EP disclosed
EP-0832150-A1 CASCADE POLYMERS WITH IODINE-CONTAINING AROMATIC COMPOUNDS SCHERING AKTIENGESELLSCHAFT (DE) 1998-04-01 — — EP disclosed
WO-1997023245-A1 CASCADE POLYMER COMPLEXES, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1997-07-03 — — WO disclosed
EP-0768898-A1 CASCADE-POLYMER COMPLEXES AND METHODS OF PRODUCING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-23 — — EP disclosed
WO-1997002051-A2 CASCADE POLYMER COMPLEXES SCHERING AKTIENGESELLSCHAFT (DE) 1997-01-23 — — WO disclosed
WO-1996041830-A1 CASCADE POLYMERS WITH IODINE-CONTAINING AROMATIC COMPOUNDS SCHERING AKTIENGESELLSCHAFT (DE) 1996-12-27 — — WO disclosed
WO-1996001655-A1 CASCADE-POLYMER COMPLEXES AND METHODS OF PRODUCING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1996-01-25 — — 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-20040091426-A1 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes ZYX, CCNY, MOK EPOR 1015/4885HTR2A 3043/4885MC4R 2973/4885
US-20080213187-A1 NOVEL CASCADE POLYMER COMPLEXES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PGF, F13A1, F11 EPOR 970/4885HTR2A 2892/4885MC4R 2688/4885

“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.

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