SCHEMBL5855306

SCHEMBL5855306

CC(C)c1ccc(CCNC(=O)O)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
HIF1A Q16665 1/20 0.44
EPHX1 P07099 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
BCHE P06276 4/20 0.39
ACHE P22303 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.37
F10 P00742 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FADS1 O60427 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
SCHEMBL3884223 0.84 TRPA1 (0.46) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL5857184 0.79 MAPT (0.46) ALDH1A1ALOX12HTTEPHX1NPC1
SCHEMBL5857189 0.79 MAPT (0.46) ALDH1A1ALOX12HTTEPHX1NPC1
SCHEMBL5858487 0.78 F10 (0.42) F10
SCHEMBL8123262 0.77 MTNR1A (0.52) ALDH1A1RAB9A
SCHEMBL14271869 0.76 ALDH1A1 (0.53) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL20368393 0.75 ALDH1A1 (0.55) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL3888863 0.74 EPHX1 (0.45) EPHX1NPC1RAB9ABCHEACHE
SCHEMBL4598193 0.73 MTNR1A (0.46) ALDH1A1HIF1AEPHX1NPC1RAB9A
SCHEMBL27299822 0.72 ALDH1A1 (0.57) ALDH1A1GAAALOX12HTTHIF1A

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
US-20060111446-A1 5-Amidino-N-(2-aminophenethyl)-2-hydroxybenzenesulfonamide derivative, medicinal composition containing the same, pharmaceutical use thereof, and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. 2006-05-25 US disclosed
US-7022689-B2 5-amidino-n-(2-aminophenethyl)-n-hydroxy-benzenesulffonamide derivative, medical composition containing the same, pharmaceutical use thereof and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-04-04 US disclosed
US-20040242455-A1 5-amidino-n-(2-aminophenethyl)-n-hydroxy-benzenesulffonamide derivative, medical composition containing the same, pharmaceutical use thereof and intermediate therefor KISSEI PAHRMACEUTICAL CO., LTD. (JP) 2004-12-02 US disclosed
EP-1415983-A1 5-AMIDINO-N-(2-AMINOPHENETHYL)-HYDROXYBENZENESULFONAMIDE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND INTERMEDIATE THEREFOR Kissei Pharmaceutical Co., Ltd. (JP) 2004-05-06 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 (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-20040242455-A1 5-amidino-n-(2-aminophenethyl)-n-hydroxy-benzenesulffonamide derivative, medical composition containing the same, pharmaceutical use thereof and intermediate therefor F11, F2, F7 ALDH1A1 3590/4885GAA 1182/4885ALOX12 412/4885
US-20060111446-A1 5-Amidino-N-(2-aminophenethyl)-2-hydroxybenzenesulfonamide derivative, medicinal composition containing the same, pharmaceutical use thereof, and intermediate therefor F11, F5, F2 ALDH1A1 2957/4885GAA 1372/4885ALOX12 383/4885

“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.