SCHEMBL6131661

SCHEMBL6131661

O=C(O)C(Cc1ccc([N+](=O)[O-])cc1)NC1=CC(=O)C12CCCCC2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.50
ITGA4 P13612 6/20 0.50
CA2 P00918 1/20 0.43
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
EPHX1 P07099 1/20 0.38
MAPT P10636 1/20 0.38
PPARG P37231 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6131662 1.00 ITGB1 (0.50) ITGB1ITGA4CA2ALDH1A1LMNA
SCHEMBL6532346 0.87 ITGB1 (0.41) ITGB1ITGA4ALDH1A1LMNAMAPT
SCHEMBL4734791 0.85 ITGB1 (0.55) ITGB1ITGA4LMNAPPARG
SCHEMBL6131675 0.77 MAPT (0.37) ALDH1A1LMNAMAPTKMT2A
SCHEMBL6131693 0.76 L3MBTL1 (0.36) ITGB1ITGA4CA2ALDH1A1LMNA
SCHEMBL6131689 0.76 L3MBTL1 (0.36) ITGA4MAPTMEN1KMT2A
SCHEMBL2983988 0.75 ITGB1 (0.61) ITGB1ITGA4
SCHEMBL2983609 0.74 ITGB1 (0.49) ITGB1ITGA4
SCHEMBL2984859 0.74 ITGB1 (0.63) ITGB1ITGA4
SCHEMBL2988053 0.74 ITGB1 (0.63) ITGB1ITGA4

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 ITGB1 4148/4885ITGA4 3960/4885CA2 780/4885

“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.