SCHEMBL3337623

SCHEMBL3337623

CCN(CC)C(=O)C(C)Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
HTT P42858 3/20 0.36
HTR1A P08908 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
DPP4 P27487 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32

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
SCHEMBL3898588 0.81 LMNA (0.40) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL14361944 0.81 LMNA (0.40) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL7497247 0.80 CA12 (0.44) LMNAALDH1A1DPP4MEN1KMT2A
SCHEMBL11632818 0.78 LMNA (0.32) LMNAALDH1A1
SCHEMBL3200366 0.78 LMNA (0.42) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL8475923 0.77 LMNA (0.37) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL11767508 0.77 DPP4 (0.42) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL18098236 0.76 LMNA (0.40) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL1964784 0.76 LMNA (0.40) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL17652005 0.76 LMNA (0.40) LMNAALDH1A1MMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56152446-A None JP disclosed
US-20180201576-A1 METHOD FOR SYNTHESIZING DISSYMMETRIC SULFOETHER SOOCHOW UNIVERSITY (CN) 2018-07-19 US disclosed
WO-2017215110-A1 SYNTHETIC METHOD FOR ASYMMETRICAL THIOETHER 苏州大学 2017-12-21 WO disclosed
EP-2146574-B1 PROCESS FOR MANUFACTURE OF HIGH PURITY D-(-)-N, N-DIETHYL-2-( - NAPHTHOXY) PROPIONAMIDE UPL LTD (IN) 2015-11-04 EP disclosed
US-8309765-B2 Process for manufacture of high purity D-(−)-N,N-diethyl-2-(α-naphthoxy) propionamide UNITED PHOSPHORUS LIMITED (IN) 2012-11-13 US disclosed
US-20100144532-A1 PROCESS FOR MANUFACTURE OF HIGH PURITY D-(-)-N,N-DIETHYL-2-(alpha-NAPHTHOXY) PROPIONAMIDE UPL LIMITED (IN) 2010-06-10 US disclosed
US-5108489-A HERBICIDAL DISUBSTITUTED NAPHTHALENES BAYER AKTIENGESELLSCHAFT (DE) 1992-04-28 US disclosed
US-4788204-A TRANQUILIZERS; ANTICONVULSANTS; ANGINA AND IMMUNODIFICIENCY TREATMENTS RHONE-POULENC SANTE (FR) 1988-11-29 US disclosed
US-4788199-A ANXIOLYTICS, ANTICONVULSANTS, ANTIANGINA AGENTS RHONE-POULENC SANTE (FR) 1988-11-29 US disclosed
EP-0109311-B1 N,N-DIALKYL-2-(4'-SUBSTITUTED-1'-NAPHTHOXY)PROPIONAMIDES STAUFFER CHEMICAL COMPANY (US) 1987-07-01 EP disclosed
US-4548641-A PREEMERGENCE HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1985-10-22 US disclosed
EP-0109311-A1 N,N-dialkyl-2-(4'-substituted-1'-naphthoxy)propionamides STAUFFER CHEMICAL COMPANY (US) 1984-05-23 EP disclosed
JP-S56152446-A ALPHA-SUBSTITUTED FATTY ACID AMID AND THEIR SALT NIPPON NOHYAKU CO LTD 1981-11-26 JP disclosed
US-4051182-A Process for the manufacture of α-chloropropionyl chloride STAUFFER CHEMICAL COMPANY (US) 1977-09-27 US disclosed
US-3998880-A Production of N,N-diethyl 2(α-naphthoxy)propionamide STAUFFER CHEMICAL COMPANY (US) 1976-12-21 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 (2 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-20180201576-A1 METHOD FOR SYNTHESIZING DISSYMMETRIC SULFOETHER STS, TST, SCLY LMNA 4580/4885ALDH1A1 842/4885MMP1 1464/4885
US-20100144532-A1 PROCESS FOR MANUFACTURE OF HIGH PURITY D-(-)-N,N-DIETHYL-2-(alpha-NAPHTHOXY) PROPIONAMIDE DNPH1, NAAA, DDT LMNA 244/4885ALDH1A1 501/4885MMP1 4183/4885

“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.