SCHEMBL1404285

SCHEMBL1404285

O=NN(CC(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
ALOX15 P16050 1/20 0.46
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
GLA P06280 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
AKR1B1 P15121 1/20 0.37
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL11751630 0.84 CA2 (0.41) ALDH1A1ALOX15KMT2APOLBKEAP1
SCHEMBL2301619 0.83 TDP1 (0.44) ALDH1A1ALOX15KEAP1NFE2L2TDP1
SCHEMBL11692296 0.82 KEAP1 (0.41) ALDH1A1ALOX15L3MBTL1TSHRNPC1
SCHEMBL15939364 0.82 KEAP1 (0.41) L3MBTL1KMT2AKEAP1NFE2L2
SCHEMBL17352821 0.82 TSHR (0.44) ALDH1A1ALOX15TSHRKMT2ANPC1
SCHEMBL1520473 0.80 ALDH1A1 (0.43) ALDH1A1ALOX15NPSR1TSHRKMT2A
SCHEMBL2558482 0.80 MAPT (0.45) ALDH1A1NPSR1L3MBTL1KMT2ANPC1
SCHEMBL6172326 0.78 KEAP1 (0.57) KEAP1NFE2L2
SCHEMBL13252246 0.77 ALDH1A1 (0.44) ALDH1A1NPSR1L3MBTL1TSHRKMT2A
SCHEMBL3973751 0.77 NPSR1 (0.36) ALDH1A1ALOX15NPSR1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0428342-B1 Stable thiol-ene compositions LOCTITE IRELAND LTD (IE) 1997-01-15 EP claimed
US-5358976-A Curable; stabilization by addition of a non-acidic N-nitroso compound LOCTITE (IRELAND) LIMITED (IE) 1994-10-25 US claimed
US-4016216-A Stabilizing 2,3-dichloro-1,3-butadiene with certain N-nitrosoaniline compounds TOYO SODA MANUFACTURING CO., LTD. (JA) 1977-04-05 US claimed
US-4013580-A Method of preventing formation of popcorn chloroprene polymer TOYO SODA MANUFACTURING CO., LTD. (JA) 1977-03-22 US claimed
US-9802980-B2 Method for producing pyrazoles, novel pyrazoles and applications thereof COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-10-31 US disclosed
EP-2291167-B1 RADICAL POLYMERISATION INHIBITORS FOR LIGHT-CURABLE DENTAL MATERIALS DENTSPLY DETREY GMBH (DE) 2016-09-21 EP disclosed
US-20150368295-A1 METHOD FOR PRODUCING PYRAZOLES, NOVEL PYRAZOLES AND APPLICATIONS THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-12-24 US disclosed
US-8507570-B2 Radical polymerization inhibitors for light-curable dental materials DENTSPLY INTERNATIONAL INC. (US) 2013-08-13 US disclosed
US-20120142804-A1 Radical Polymerization Inhibitors for Light-Curable Dental Materials DENTSPLY INTERNATIONAL INC. (US) 2012-06-07 US disclosed
US-20110196056-A1 RADICAL POLYMERIZATION INHIBITORS FOR LIGHT-CURABLE DENTAL MATERIALS BLACKWELL GORDON 2011-08-11 US disclosed
EP-2291167-A2 RADICAL POLYMERISATION INHIBITORS FOR LIGHT-CURABLE DENTAL MATERIALS Dentsply DeTrey GmbH (DE) 2011-03-09 EP disclosed
WO-2009135678-A2 RADICAL POLYMERISATION INHIBITORS FOR LIGHT-CURABLE DENTAL MATERIALS DENTSPLY DETREY GMBH (DE) 2009-11-12 WO disclosed
EP-0428342-B1 Stable thiol-ene compositions LOCTITE IRELAND LTD (IE) 1997-01-15 EP disclosed
US-5358976-A Curable; stabilization by addition of a non-acidic N-nitroso compound LOCTITE (IRELAND) LIMITED (IE) 1994-10-25 US disclosed
EP-0484054-A1 Stabilised thiol-ene compositions LOCTITE (IRELAND) Ltd. (IE) 1992-05-06 EP disclosed
EP-0428342-A2 Stable thiol-ene compositions LOCTITE (IRELAND) Ltd. (IE) 1991-05-22 EP disclosed
US-4016216-A Stabilizing 2,3-dichloro-1,3-butadiene with certain N-nitrosoaniline compounds TOYO SODA MANUFACTURING CO., LTD. (JA) 1977-04-05 US disclosed
US-4013580-A Method of preventing formation of popcorn chloroprene polymer TOYO SODA MANUFACTURING CO., LTD. (JA) 1977-03-22 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-20110196056-A1 RADICAL POLYMERIZATION INHIBITORS FOR LIGHT-CURABLE DENTAL MATERIALS MAP1LC3A, MAP1LC3B, MAP1LC3C ALDH1A1 1093/4885ALOX15 1793/4885NPSR1 4803/4885
US-20120142804-A1 Radical Polymerization Inhibitors for Light-Curable Dental Materials EPN1, MAP1LC3C, MAP1LC3A ALDH1A1 663/4885ALOX15 1469/4885NPSR1 4830/4885
US-20150368295-A1 METHOD FOR PRODUCING PYRAZOLES, NOVEL PYRAZOLES AND APPLICATIONS THEREOF NDUFS7, NDUFS3, UQCRB ALDH1A1 155/4885ALOX15 1182/4885NPSR1 2121/4885

“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.