SCHEMBL6131675

SCHEMBL6131675

CCOC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC1=CC(=O)C12CCOCC2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KCNJ1 P48048 2/20 0.36
KCNH2 Q12809 1/20 0.36
ELANE P08246 1/20 0.36
CCR3 P51677 2/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
TLR3 O15455 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 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
SCHEMBL6131689 0.91 L3MBTL1 (0.36) MAPTSMN1; SMN2L3MBTL1KCNJ1NPC1
SCHEMBL6532346 0.90 ITGB1 (0.41) MAPTLMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6131693 0.90 L3MBTL1 (0.36) MAPTLMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6131684 0.86 PPID (0.41) LMNAELANE
SCHEMBL6131686 0.86 PPID (0.41) LMNAELANE
SCHEMBL4734050 0.84 LMNA (0.41) MAPTLMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4737032 0.82 BCHE (0.41) MAPTLMNAALDH1A1SMN1; SMN2ELANE
SCHEMBL4737029 0.82 BCHE (0.41) MAPTLMNAALDH1A1SMN1; SMN2ELANE
SCHEMBL6131662 0.77 ITGB1 (0.50) MAPTLMNAALDH1A1KMT2A
SCHEMBL6131661 0.77 ITGB1 (0.50) MAPTLMNAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951943-B2 Process for the preparation of phenylalanine enamide derivatives CELLTECH R & D LIMITED (GB) 2005-10-04 US disclosed
US-20040073033-A1 Process for the preparation of phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2004-04-15 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-20040073033-A1 Process for the preparation of phenylalanine enamide derivatives NPY2R, NPY1R, NPR1 MAPT 3839/4885LMNA 1856/4885ALDH1A1 1396/4885

“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.