SCHEMBL584368

SCHEMBL584368

N#COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.50
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
ACHE P22303 2/20 0.45
MAPK1 P28482 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL5847946 0.83 HSPB1 (0.50) HSPB1CA1CA2CA9CES2
SCHEMBL8432 0.81 HSPB1 (0.52) HSPB1CA1CA2CA9CES2
SCHEMBL821250 0.79 HSPB1 (0.50) HSPB1CA1CA2CA9CES2
SCHEMBL12111966 0.77 TSHR (0.55) CES2CES1KMT2AALDH1A1ACHE
SCHEMBL24787 0.76 CA1 (0.32) CA1CA2CA9ALDH1A1CYP3A4
Water SCHEMBL28241270 0.76 ALDH1A1 (0.68) CA1CA2CA9CES1MEN1
Water SCHEMBL27300423 0.76 ALDH1A1 (0.68) CA1CA2CA9CES1MEN1
SCHEMBL11802013 0.76 HSPB1 (0.47) HSPB1CA1CA2CA9CES2
Thiocyanic Acid SCHEMBL29001101 0.75 ALDH1A1 (0.54) CA1CA2CA9CES1MEN1
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.75 HSPB1 (0.79) HSPB1CA1CA2CA9CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240230545-A9 ACTIVATED-QUENCHED POLYSACCHARIDE AND IMPROVED METHODS FOR QUANTIFICATION OF POLYSACCHARIDE IN A VACCINE COMPOSITION BIOLOGICAL E LIMITED (IN) 2024-07-11 US claimed
US-20240133818-A1 ACTIVATED-QUENCHED POLYSACCHARIDE AND IMPROVED METHODS FOR QUANTIFICATION OF POLYSACCHARIDE IN A VACCINE COMPOSITION BIOLOGICAL E LTD (IN) 2024-04-25 US claimed
EP-4297776-A1 ACTIVATED-QUENCHED POLYSACCHARIDE AND IMPROVED METHODS FOR QUANTIFICATION OF POLYSACCHARIDE IN A VACCINE COMPOSITION Biological E Limited (IN) 2024-01-03 EP claimed
WO-2022180648-A1 ACTIVATED-QUENCHED POLYSACCHARIDE AND IMPROVED METHODS FOR QUANTIFICATION OF POLYSACCHARIDE IN A VACCINE COMPOSITION BIOLOGICAL E LIMITED (IN) 2022-09-01 WO claimed
EP-4025246-A2 IMMUNOGENIC COMPOSITIONS AGAINST ENTERIC DISEASES AND METHODS FOR ITS PREPARATION THEREOF Serum Institute Of India Private Limited (IN) 2022-07-13 EP claimed
CN-114728053-A Immunogenic compositions against intestinal disease and process for preparing same 印度血清研究所私人有限公司 2022-07-08 CN claimed
WO-2021044436-A2 IMMUNOGENIC COMPOSITIONS AGAINST ENTERIC DISEASES AND METHODS FOR ITS PREPARATION THEREOF SERUM INSTITUTE OF INDIA PRIVATE LIMITED (IN) 2021-03-11 WO claimed
CN-104428008-B Multivalent meningococcal conjugates and methods of making conjugates 美国政府(由卫生和人类服务部的部长所代表) 2020-10-09 CN claimed
US-9956278-B2 Multivalent meningococcal conjugates and methods for preparing conjugates THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-05-01 US claimed
US-20160331824-A1 MULTIVALENT MENINGOCOCCAL CONJUGATES AND METHODS FOR PREPARING CONJUGATES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2016-11-17 US claimed
EP-1015027-B1 PROCESS FOR PREPARING CONJUGATE VACCINES INCLUDING FREE PROTEIN LEES ANDREW (US) 2008-06-25 EP claimed
EP-0814833-B1 PRODUCING IMMUNOGENIC CONSTRUCTS USING SOLUBLE CARBOHYDRATES ACTIVATED VIA ORGANIC CYANYLATING REAGENTS JACKSON H M FOUND MILITARY MED (US) 2003-05-28 EP claimed
US-20020054879-A1 Process for preparing conjugate vaccines including free protein and the conjugate vaccines, immunogens, and immunogenic reagents produced by this process HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MED. 2002-05-09 US claimed
US-6248334-B1 COMPLEXING PROTEIN AND POLYSACCHARIDE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE 2001-06-19 US claimed
US-5849301-A Producing immunogenic constructs using soluable carbohydrates activated via organic cyanylating reagents HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE (US) 1998-12-15 US claimed
EP-0814833-A1 PRODUCING IMMUNOGENIC CONSTRUCTS USING SOLUBLE CARBOHYDRATES ACTIVATED VIA ORGANIC CYANYLATING REAGENTS Lees, Andrew (US) 1998-01-07 EP claimed
US-5693326-A COUPLING BACTERIAL POLYSACCHARIDE AND A PROTEIN TO FORM A IMMUNOSTIMULANT HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE (US) 1997-12-02 US claimed
US-5583213-A CONTACTING SULFATED POLYSACCHARIDE SALT WITH CATION EXCHANGE RESIN TO FORM FREE ACID, THEN WITH TETRAALKYLAMMONIUM HYDROXIDE TO FORM AMMONIUM SALT, REACTING WITH COUPLING AGENT IN APROTIC SOLVENT TO ACTIVATE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-12-10 US claimed
WO-1996035722-A1 PROCESS TO ACTIVATE SULFATED POLYSACCHARIDES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-11-14 WO claimed
WO-1996029094-A1 PRODUCING IMMUNOGENIC CONSTRUCTS USING SOLUBLE CARBOHYDRATES ACTIVATED VIA ORGANIC CYANYLATING REAGENTS LEES ANDREW (US) 1996-09-26 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20160331824-A1 MULTIVALENT MENINGOCOCCAL CONJUGATES AND METHODS FOR PREPARING CONJUGATES C1QBP, CFB, CFH HSPB1 877/4885CA1 3701/4885CA2 3161/4885

“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.