SCHEMBL6300370

SCHEMBL6300370

O=C(O)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 4/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
EPHX1 P07099 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL6300367 1.00 NPC1 (0.54) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL6298334 0.88 NPC1 (0.49) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL6298335 0.88 NPC1 (0.49) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL6299592 0.88 NPC1 (0.49) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL30583807 0.85 NPC1 (0.62) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL6904159 0.82 NPC1 (0.59) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL6904161 0.82 NPC1 (0.59) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL30583810 0.78 NPC1 (0.56) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL9834832 0.77 NPC1 (0.53) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL11455158 0.76 NPC1 (0.52) NPC1RAB9AKMT2AMEN1MAPT

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-6924307-B2 Aminobutyric acid derivatives and pharmaceutical composition containing the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-08-02 US disclosed
US-20040002480-A1 Aminobutyric acid derivatives and pharmaceutical composition containing the same as active ingredient TAKAHASHI KANJI (JP) 2004-01-01 US disclosed
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
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 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 2326/4885KMT2A 1786/4885

“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.