SCHEMBL648254

SCHEMBL648254

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
TGM2 P21980 1/20 0.53
ITGB3 P05106 4/20 0.52
ITGA2B P08514 4/20 0.52
PRSS1 P07477 2/20 0.49
PRSS2 P07478 2/20 0.49
PRSS3 P35030 2/20 0.49
TPSAB1 Q15661 2/20 0.49
SSTR3 P32745 1/20 0.49
CTSL P07711 4/20 0.49
DPP4 P27487 2/20 0.47
DPP8 Q6V1X1 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47

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
SCHEMBL16494584 1.00 HDAC1 (0.55) HDAC1HDAC2TGM2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL1930429 0.99 HDAC1 (0.54) HDAC1HDAC2TGM2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL28627653 0.99 HDAC1 (0.54) HDAC1HDAC2TGM2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL23723888 0.98 HDAC1 (0.56) HDAC1HDAC2TGM2ITGB3ITGA2B
SCHEMBL8433172 0.91 HDAC1 (0.65) HDAC1HDAC2TGM2ITGB3ITGA2B
SCHEMBL12091750 0.89 TGM2 (0.57) HDAC1HDAC2TGM2CTSLSIRT2
SCHEMBL2028970 0.89 TGM2 (0.62) HDAC1HDAC2TGM2DPP8SIRT2
SCHEMBL17737201 0.88 ITGB3 (0.58) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL12874110 0.88 TGM2 (0.56) HDAC1HDAC2TGM2CTSLSIRT2
SCHEMBL11867075 0.87 CTSL (0.49) HDAC1HDAC2TGM2CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116323125-A Composition suitable for enhancing the flexural properties of objects containing vegetable fibers 科思创(荷兰)有限公司 2023-06-23 CN disclosed
EP-4054334-A1 COMPOSITIONS, USES AND METHODS FOR PREVENTION AND TREATMENT OF VIRAL PLANT INFECTIONS HW Innovations B.V. (NL) 2022-09-14 EP disclosed
EP-2397488-B1 DIPEPTIDE MIMETICS OF NGF AND BDNF NEUROTROPHINS FEDERAL STATE BUDGETARY INSTITUTION RES ZAKUSOV INSTITUTE OF PHARMACOLOGY (RU) 2019-03-27 EP disclosed
US-9683014-B2 Dipeptide mimetics of NGF and BDNF neurotrophins UCHREZHDENIE ROSSIISKOI AKADEMII MEDITSYNSKIKH NAUK NAUCHNO-ISSLEDOVATELSKY INSTITUT FARMAKOLOGII IMENI V.V.ZAKUSOVA RAMN (RU) 2017-06-20 US disclosed
US-20150111828-A1 DIPEPTIDE MIMETICS OF NGF AND BDNF NEUROTROPHINS UCHREZHDENIE ROSSIISKOI AKADEMII MEDITSYNSKIKH NAUK NAUCHNO-ISSLEDOVATELSKY INSTITUT FARMAKOLOGII (RU) 2015-04-23 US disclosed
US-8617549-B2 Bispecific nanobodies as a therapeutic for alzheimer's disease ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2013-12-31 US disclosed
US-20120230999-A1 BISPECIFIC NANOBODIES AS A THERAPEUTIC FOR ALZHEIMER'S DISEASE Arizona Board of Regents, a body Corporate of the State of Arizona, Acting for and on Behalf of Ariz (US) 2012-09-13 US disclosed
EP-1824775-B1 DEBRIDING COMPOSITION FROM BROMELAIN AND METHODS OF PRODUCTION THEREOF MEDIWOUND LTD (IL) 2012-06-13 EP disclosed
US-8119124-B2 Debriding composition from bromelain and methods of production thereof MEDIWOUND LTD. (IL) 2012-02-21 US disclosed
US-20110312895-A1 DIPEPTIDE MIMETICS OF NGF AND BDNF NEUROTROPHINS UCHREZHDENIE ROSSIISKOI AKADEMII MEDITSYNSKIKH NAUK NAUCHNO-ISSLEDOVATELSKY INSTITUT FARMAKOLOGII IMENI V.V.ZAKUSOVA RAMN (RU) 2011-12-22 US disclosed
WO-2001055205-A1 NUCLEIC ACIDS, PROTEINS, AND ANTIBODIES HUMAN GENOME SCIENCES, INC. (US) 2001-08-02 WO disclosed
WO-2001038486-A2 KUNITZ-TYPE PROTEASE INHIBITOR POLYNUCLEOTIDES, POLYPEPTIDES, AND ANTIBODIES HUMAN GENOME SCIENCES, INC. (US) 2001-05-31 WO disclosed
US-5510531-A ANTIINFLAMMATROY AGENTS, MUSCULAR DISORDERS SUNTORY LIMITED (JP) 1996-04-23 US disclosed
EP-0624191-A1 A METHOD TO MAINTAIN THE ACTIVITY IN POLYETHYLENE GLYCOL-MODIFIED PROTEOLYTIC ENZYMES CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1994-11-17 EP disclosed
EP-0393457-B1 Proteinase inhibitor SUNTORY LTD (JP) 1994-07-06 EP disclosed
WO-1993015189-A1 A METHOD TO MAINTAIN THE ACTIVITY IN POLYETHYLENE GLYCOL-MODIFIED PROTEOLYTIC ENZYMES CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1993-08-05 WO disclosed
US-5081284-A N-Oxomethyl-Substituted Peptide SUNTORY LIMITED (JP) 1992-01-14 US disclosed
EP-0393457-A1 Proteinase inhibitor SUNTORY LIMITED (JP) 1990-10-24 EP disclosed
US-4715899-A Liquid cleaner containing inactivated protease for protein soiled contact lenses CHANDA SUBIR (US) 1987-12-29 US disclosed
US-3943245-A CHROMATOGRAPHY ARMOUR PHARMACEUTICAL COMPANY (US) 1976-03-09 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-20150111828-A1 DIPEPTIDE MIMETICS OF NGF AND BDNF NEUROTROPHINS BDNF, NTRK2, NGF HDAC1 1701/4885HDAC2 1949/4885TGM2 3078/4885
US-20120230999-A1 BISPECIFIC NANOBODIES AS A THERAPEUTIC FOR ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 HDAC1 1327/4885HDAC2 1658/4885TGM2 901/4885
US-20110312895-A1 DIPEPTIDE MIMETICS OF NGF AND BDNF NEUROTROPHINS BDNF, NTRK2, NGF HDAC1 1701/4885HDAC2 1949/4885TGM2 3078/4885

“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.