SCHEMBL6906243

SCHEMBL6906243

C#CCOCC(CC(COCOCC)NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 7/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.34
USP21 Q9UK80 1/20 0.34

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
SCHEMBL6298359 1.00 NPC1 (0.39) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL6304316 0.92 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL6304319 0.92 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL6298282 0.91 MAPT (0.37) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL6298281 0.91 MAPT (0.37) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL7741072 0.91 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL7741067 0.91 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL6305362 0.88 RAB9A (0.43) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL7740952 0.88 RAB9A (0.43) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL6305369 0.88 RAB9A (0.43) NPC1RAB9ASMN1; SMN2TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040002480-A1 Aminobutyric acid derivatives and pharmaceutical composition containing the same as active ingredient TAKAHASHI KANJI (JP) 2004-01-01 US claimed
EP-1167346-A1 4-AMINOBUTANOIC ACID DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-01-02 EP claimed
US-6569899-B1 Such as 5-ethoxymethoxy-4(S)-(N-(4-iodophenylcarbonyl)amino) pentanoic acid methyl ester for inhibiting matrix metalloproteinase; for treatment of rheumatoid diseases, arthrosteitis, osteoarthritis, and osteoporosis ONO PHARMACEUTICALS CO., LTD. (JP) 2003-05-27 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 (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-20040002480-A1 Aminobutyric acid derivatives and pharmaceutical composition containing the same as active ingredient GABBR1, GABRB1, GABBR2 NPC1 3525/4885RAB9A 2326/4885SMN1; SMN2 3556/4885

“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.