SCHEMBL2993617

SCHEMBL2993617

CN(CC(CC1CCCCC1)OC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ADAMTS4 O75173 1/20 0.38
▸ ADAMTS5 Q9UNA0 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ NAAA Q02083 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ BCL9 O00512 1/20 0.35
▸ CTNNB1 P35222 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
SCHEMBL4754617 0.78 SMN1; SMN2 (0.46) L3MBTL1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL4753078 0.77 L3MBTL1 (0.43) L3MBTL1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL4971079 0.76 L3MBTL1 (0.41) L3MBTL1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL4971085 0.76 L3MBTL1 (0.41) L3MBTL1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL29369577 0.73 GAA (0.58) L3MBTL1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL26728271 0.73 GAA (0.51) L3MBTL1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL10674760 0.72 GAA (0.56) GAAKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3617574 0.71 NAAA (0.45) L3MBTL1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL1864730 0.71 MGLL (0.44) L3MBTL1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL1864733 0.71 MGLL (0.44) L3MBTL1GAAKMT2AMEN1SMN1; SMN2

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-20100184805-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-22 — — US disclosed
US-20100184805-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-22 — — US disclosed
US-20100184805-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-22 — — 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-20100184805-A1 RENIN INHIBITORS ACE, REN, ACE2 L3MBTL1 4449/4885GAA 44/4885KMT2A 4279/4885

“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.

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