SCHEMBL6480240

SCHEMBL6480240

C[C@@H]1C(=O)NC(=O)N1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
SIRT6 Q8N6T7 2/20 0.41
SCN2A Q99250 1/20 0.41
ADRB1 P08588 1/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CRHBP P24387 1/20 0.40
GFER P55789 1/20 0.40
CRHR2 Q13324 1/20 0.40
ACHE P22303 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
PLEC Q15149 1/20 0.40
CRBN Q96SW2 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL16702434 0.74 SIRT6 (0.45) LMNARECQLSIRT6SCN2AADRB1
SCHEMBL5314594 0.72 SIRT6 (0.46) LMNARECQLSIRT6ADRB1MEN1
SCHEMBL30912424 0.70 KMT2A (0.46) SIRT6SCN2AADRB1MEN1KMT2A
SCHEMBL30912496 0.70 KMT2A (0.46) SIRT6SCN2AADRB1MEN1KMT2A
SCHEMBL3527186 0.69 MAPT (0.44) LMNASIRT6SCN2AADRB1MEN1
SCHEMBL16167239 0.68 SIRT6 (0.42) SIRT6SCN2AADRB1MEN1KMT2A
SCHEMBL6480244 0.68 SCN2A (0.49) LMNARECQLSIRT6SCN2AADRB1
SCHEMBL11099498 0.67 MEN1 (0.43) LMNASIRT6ADRB1MEN1KMT2A
SCHEMBL257152 0.67 HSPA9 (0.41) LMNASIRT6MEN1KMT2AMAPT
SCHEMBL16702454 0.67 SIRT6 (0.44) LMNARECQLSIRT6SCN2AADRB1

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-6838439-B2 Heterocytes as inhibitors of leucocyte adhesion and as VLA-4 antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-04 US disclosed
EP-0842945-B1 Heterocycles as inhibitors of leukocyte adhesion and as antagonists of VLA-4 HOECHST AG (DE) 2003-02-19 EP disclosed
US-20020065391-A1 Novel heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-05-30 US disclosed
EP-0842945-A2 Heterocycles as inhibitors of leukocyte adhesion and as antagonists of VLA-4 HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-20 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-20020065391-A1 Novel heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists VCAM1, ICAM1, ITGB4 LMNA 1460/4885RECQL 4512/4885SIRT6 3323/4885

“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.