SCHEMBL6904159

SCHEMBL6904159

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
EPHX1 P07099 1/20 0.46
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45

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
SCHEMBL6904161 1.00 NPC1 (0.59) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL30583807 0.90 NPC1 (0.62) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL10024168 0.86 L3MBTL1 (0.50) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL30583810 0.82 NPC1 (0.56) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL6300370 0.82 NPC1 (0.54) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL6300367 0.82 NPC1 (0.54) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL9834832 0.81 NPC1 (0.53) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL5365438 0.81 PRKCE (0.51) NPC1RAB9AMMP2MMP9
SCHEMBL1756678 0.81 SSTR3 (0.52) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL603555 0.81 SSTR3 (0.52) NPC1RAB9AMEN1KMT2AALDH1A1

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
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 claimed
US-20040002480-A1 Aminobutyric acid derivatives and pharmaceutical composition containing the same as active ingredient TAKAHASHI KANJI (JP) 2004-01-01 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 2326/4885MEN1 3341/4885

“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.