SCHEMBL255504

SCHEMBL255504

NCC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.67
TSHR P16473 1/20 0.62
CES1 P23141 2/20 0.61
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 1/20 0.57
MAPK1 P28482 1/20 0.57
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.53
CES2 O00748 1/20 0.53
SRD5A2 P31213 1/20 0.53
HSD11B1 P28845 1/20 0.53
MMP8 P22894 1/20 0.51
PKM P14618 1/20 0.51

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
Hydrochloric Acid SCHEMBL162109 0.98 GSK3B (0.65) GSK3BTSHRCES1CA1CA2
Hydrochloric Acid SCHEMBL15057783 0.96 GSK3B (0.62) GSK3BTSHRCES1CA1CA2
SCHEMBL10789142 0.85 GSK3B (0.62) GSK3BTSHRCES1CA1CA2
SCHEMBL11510574 0.83 GSK3B (0.71) GSK3BTSHRCES1CA1CA2
SCHEMBL240086 0.83 GSK3B (0.71) GSK3BTSHRCES1CA1CA2
SCHEMBL10788268 0.82 GSK3B (0.59) GSK3BTSHRCES1CA1CA2
SCHEMBL220960 0.82 GSK3B (0.69) GSK3BTSHRCES1CA1CA2
SCHEMBL11713734 0.82 GSK3B (0.69) GSK3BTSHRCES1CA1CA2
SCHEMBL16938818 0.81 MAPT (0.63) GSK3BTSHRCES1CA1CA2
SCHEMBL279440 0.81 MAPK1 (0.63) GSK3BTSHRCES1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10179832-B2 Storage stable heat activated quaternary ammonium catalysts for epoxy cure HENKEL AG & CO. KGAA (DE) 2019-01-15 US claimed
EP-3131671-A1 STORAGE STABLE HEAT ACTIVATED QUATERNARY AMMONIUM CATALYSTS FOR EPOXY CURE Henkel AG & Co. KGaA (DE) 2017-02-22 EP claimed
US-20170029558-A1 STORAGE STABLE HEAT ACTIVATED QUATERNARY AMMONIUM CATALYSTS FOR EPOXY CURE HENKEL AG & CO. KGAA (DE) 2017-02-02 US claimed
WO-2015158774-A1 STORAGE STABLE HEAT ACTIVATED QUATERNARY AMMONIUM CATALYSTS FOR EPOXY CURE HENKEL AG & CO. KGAA (DE) 2015-10-22 WO claimed
EP-2933019-A1 Storage stable heat activated quaternary ammonium catalysts for epoxy cure Henkel AG&Co. KGAA (DE) 2015-10-21 EP claimed
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US claimed
US-20090137420-A1 METHODS, COMPOUNDS AND COMPOSITIONS WITH GENOTYPE SELECTIVE ANTICANCER ACTIVITY TRANSLATIONAL GENOMLES, RESEARCH INSTITUTE 2009-05-28 US claimed
EP-1877352-A4 METHODS, COMPOUNDS AND COMPOSITIONS WITH GENOTYPE SELECTIVE ANTICANCER ACTIVITY TGEN (US) 2009-01-21 EP claimed
EP-1877352-A2 METHODS, COMPOUNDS AND COMPOSITIONS WITH GENOTYPE SELECTIVE ANTICANCER ACTIVITY Tgen (US) 2008-01-16 EP claimed
WO-2006113367-A2 METHODS, COMPOUNDS AND COMPOSITIONS WITH GENOTYPE SELECTIVE ANTICANCER ACTIVITY TGEN (US) 2006-10-26 WO claimed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
WO-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 WO disclosed
US-10179832-B2 Storage stable heat activated quaternary ammonium catalysts for epoxy cure HENKEL AG & CO. KGAA (DE) 2019-01-15 US disclosed
EP-3016951-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
US-4112224-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1978-09-05 US disclosed
US-4109082-A PROSTACYCLIN ANALOGS; SMOOTH MUSCLE STIMULATORS THE UPJOHN COMPANY (US) 1978-08-22 US disclosed
US-4100192-A Inter-phenylene-PG amides THE UPJOHN COMPANY (US) 1978-07-11 US disclosed
US-4097489-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-06-27 US disclosed
US-3987047-A ANORETICS BOEHRINGER INGELHEIM GMBH (DT) 1976-10-19 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-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 GSK3B 2840/4885TSHR 562/4885CES1 2845/4885
US-20090137420-A1 METHODS, COMPOUNDS AND COMPOSITIONS WITH GENOTYPE SELECTIVE ANTICANCER ACTIVITY TP53, MCL1, VHL GSK3B 2142/4885TSHR 4773/4885CES1 1486/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 GSK3B 54/4885TSHR 3633/4885CES1 2907/4885

“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.