SCHEMBL6701858

SCHEMBL6701858

CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 11/20 0.50
MEN1 O00255 10/20 0.50
HTT P42858 5/20 0.50
POLB P06746 4/20 0.50
DDX3X O00571 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
ALOX5 P09917 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
TP53 P04637 1/20 0.47
CASP3 P42574 1/20 0.47

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
SCHEMBL17569636 1.00 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL19275515 1.00 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7845384 0.86 MAPT (0.43) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL19271236 0.84 SMN1; SMN2 (0.59) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL17560485 0.83 MAPT (0.40) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL17560484 0.83 MAPT (0.40) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL17569528 0.83 MAPT (0.40) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL3222110 0.83 SMN1; SMN2 (0.64) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL31135773 0.83 SMN1; SMN2 (0.64) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL19275673 0.83 MAPT (0.49) MAPTSMN1; SMN2NPC1RAB9AKMT2A

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-6723710-B2 BORON GROUP-SUBSTITUTED ACYCLIC ALPHA AMINO ACIDS ARE USEFUL FOR INHIBITING A VARIETY OF ARINASE- AND NO SYNTHASE-RELATED DISORDERS, INCLUDING HEART DISEASE, GASTROINTESTINAL MOTILITY DISORDERS, AND PENILE ERECTILE DYSFUNCTION IN HUMANS. THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2004-04-20 US disclosed
US-20040063666-A1 Compositions for inhibiting arginase activity NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2004-04-01 US disclosed
US-20030036529-A1 Compositions and methods for inhibiting arginase activity THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2003-02-20 US disclosed
US-6387890-B1 CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; SEXUAL DISORDERS TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2002-05-14 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-20040063666-A1 Compositions for inhibiting arginase activity ARG1, PDE3A, ARG2 MAPT 4649/4885SMN1; SMN2 1295/4885NPC1 3813/4885

“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.