SCHEMBL2949828

SCHEMBL2949828

NC1CCCCC1(N)S(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
MCOLN3 Q8TDD5 1/20 0.51
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
MAPT P10636 2/20 0.37
HTR7 P34969 4/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
RORC P51449 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL4775445 0.84 SMN1; SMN2 (0.54) GAAALDH1A1KMT2AMAPTACHE
SCHEMBL4775447 0.79 HTR2A (0.38) GAAMCOLN3ALDH1A1KDM4EMEN1
SCHEMBL7530799 0.76 MEN1 (0.41) GAAALDH1A1MEN1KMT2A
SCHEMBL5059654 0.75 KMT2A (0.50) MCOLN3ALDH1A1MEN1KMT2AMAPT
SCHEMBL28053508 0.73 CA1 (0.32)
SCHEMBL3193854 0.69 GAA (1.00) GAAMCOLN3ALDH1A1KMT2APSEN1
SCHEMBL16877047 0.68 TRPA1 (0.41) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL7541549 0.67 GAA (0.96) GAAMCOLN3ALDH1A1KMT2APSEN1
SCHEMBL3193960 0.67 GAA (0.96) GAAMCOLN3ALDH1A1KMT2APSEN1
SCHEMBL30587708 0.67 MAOB (0.48) GAAMCOLN3ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104529915-B Quinokysalines with DNA topoisomerase II inhibiting activities are similar to object and its preparation method and application 山东大学 2018-07-24 CN disclosed
US-7754889-B2 1,2-di(4-N,N-dimethylaminophenyl)ethylene-1,2-diamine catalyst complex for asymmetric synthesis; for producing an optically active alcohol using the catalyst to asymmetrically reduce a ketone TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-07-13 US disclosed
US-20070149831-A1 1,2-di(4-N,N-dimethylaminophenyl)ethylene-1,2-diamine catalyst complex for asymmetric synthesis; for producing an optically active alcohol using the catalyst to asymmetrically reduce a ketone TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-28 US disclosed
WO-2005075073-A1 WATER-SOLUBLE TRANSITION METAL-DIAMINE COMPLEX AND USE THEREOF TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-08-18 WO 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 (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-20070149831-A1 1,2-di(4-N,N-dimethylaminophenyl)ethylene-1,2-diamine catalyst complex for asymmetric synthesis; for producing an optically active alcohol using the catalyst to asymmetrically reduce a ketone ADH1C, ADH1A, ADH5 GAA 4417/4885MCOLN3 3065/4885ALDH1A1 54/4885

“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.