SCHEMBL2361806

SCHEMBL2361806

C=CCN(CC=C)c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
ALOX12 P18054 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
MAPK1 P28482 1/20 0.48
PTGS2 P35354 1/20 0.48
HTR2B P41595 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPY5R Q15761 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL18880256 0.89 CYP1A2 (0.49) CYP1A2ALDH1A1TSHRTDP1NPY5R
SCHEMBL9847486 0.87 GAA (0.39) CYP1A2ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL4565156 0.85 ALDH1A1 (0.48) CYP1A2ALDH1A1HSD17B10ALOX12L3MBTL1
SCHEMBL9559165 0.84 MAPT (0.44) CYP1A2ALDH1A1HSD17B10ALOX12L3MBTL1
SCHEMBL9336222 0.83 ICMT (0.40) CYP1A2ALDH1A1HSD17B10ALOX12L3MBTL1
SCHEMBL11032897 0.82 CHKA (0.46) CYP1A2ALDH1A1TSHRMEN1KMT2A
SCHEMBL83762 0.82 CHKA (0.46) CYP1A2ALDH1A1TSHRMEN1KMT2A
Ammonia Solution, Strong SCHEMBL7942696 0.80 CHKA (0.44) CYP1A2ALDH1A1ALOX12TSHRMEN1
Hydrochloric Acid SCHEMBL4050783 0.80 CHKA (0.44) CYP1A2TSHRMEN1KMT2AMAPT
SCHEMBL851567 0.79 CHKA (0.50) CYP1A2ALDH1A1HSD17B10L3MBTL1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6706209-B1 SUCH AS 2-HYDROXYALKYLACRYLATE, N,N-DIMETHYLAMINOPROPYL METHACRYLAMIDE, N,N-DIETHYLHYDROXYLAMINE AND N-NITROSO-N-PHENYLHYDROXYLAMINE; STORAGE STABLE; HIGH DEGREE OF POLYMERIZATION WITHOUT SEPARATION OF INHIBITOR ROEHM GMBH & CO. KG (DE) 2004-03-16 US claimed
US-5213699-A For lubricants, heat and oxidation resistance CIBA-GEIGY CORPORATION (US) 1993-05-25 US claimed
EP-0538195-A2 N-Allyl/benzyl substituted phenylenediamine stabilizers CIBA-GEIGY AG (CH) 1993-04-21 EP claimed
JP-5279304-A None JP disclosed
JP-63081145-A None JP disclosed
EP-3680231-A1 METHOD FOR THE PREPARATION OF N-ISOPROPYL(METH)ACRYLAMIDE Evonik Operations GmbH (DE) 2020-07-15 EP disclosed
US-10676454-B2 Method for producing monomers from isomeric mixtures EVONIK OPERATIONS GMBH (DE) 2020-06-09 US disclosed
EP-2358664-B1 METHOD FOR PRODUCING N-ISOPROPYL(METH)ACRYLAMIDE EVONIK OPERATIONS GMBH (DE) 2020-03-25 EP disclosed
US-20190031638-A1 Method for producing monomers from isomeric mixtures EVONIK RÖHM GMBH (DE) 2019-01-31 US disclosed
US-9512062-B2 Method for producing N-isopropyl(meth)acrylamide EVONIK ROEHM GMBH (DE) 2016-12-06 US disclosed
US-20110218312-A1 METHOD FOR PRODUCING N-ISOPROPYL(METH)ACRYLAMIDE EVONIK ROEHM GMBH (DE) 2011-09-08 US disclosed
US-4929778-A PHENYLENEDIAMINE COMPOUNDS, AND HINDERED PHENOLS BETZ LABORATORIES, INC. (US) 1990-05-29 US disclosed
US-4912247-A Inhibiting acrylonitrile polymerization BETZ LABORATORIES, LTD. (US) 1990-03-27 US disclosed
US-4797504-A HYDROXYLAMINES AND PHENYLENEDIAMINE DERIVATIVES BETZ LABORATORIES, INC. (US) 1989-01-10 US disclosed
EP-0266906-A2 Method and composition for inhibiting acrylate ester polymerization BETZ EUROPE, INC. (US) 1988-05-11 EP disclosed
JP-S6381145-A RUBBER COMPOSITION CONTAINING ANTIOXIDANT KAWAGUCHI KAGAKU KOGYO KK 1988-04-12 JP disclosed
US-4720566-A Method and composition for inhibiting acrylonitrile polymerization BETZ LABORATORIES, INC. (US) 1988-01-19 US disclosed
EP-0011790-B1 PROCESS FOR THE PREPARATION OF NITRODIPHENYL AMINE DERIVATIVES BAYER AG (DE) 1981-07-15 EP disclosed
US-4238407-A Process for the preparation of nitro diphenyl amine derivatives BAYER AKTIENGESELLSCHAFT (DE) 1980-12-09 US disclosed
EP-0011790-A1 Process for the preparation of nitrodiphenyl amine derivatives BAYER AG (DE) 1980-06-11 EP 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-20190031638-A1 Method for producing monomers from isomeric mixtures GK, ACR, MGLL CYP1A2 559/4885ALDH1A1 364/4885HSD17B10 125/4885
US-20110218312-A1 METHOD FOR PRODUCING N-ISOPROPYL(METH)ACRYLAMIDE ACR, PAM, AMPD2 CYP1A2 1245/4885ALDH1A1 542/4885HSD17B10 2312/4885
US-10676454-B2 Method for producing monomers from isomeric mixtures GK, ACR, MGLL CYP1A2 559/4885ALDH1A1 364/4885HSD17B10 125/4885

“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.