SCHEMBL3555503

SCHEMBL3555503

CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.58
LMNA P02545 2/20 0.53
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
MAPK10 P53779 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 1/20 0.51
PRKCZ Q05513 1/20 0.49
NPC1 O15118 1/20 0.48
ADORA3 P0DMS8 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
SCHEMBL6300719 0.85 ALDH1A1 (0.67) LMNAALDH1A1KDM4EMEN1GAA
SCHEMBL8512850 0.84 MEN1 (0.56) LMNAALDH1A1KDM4EMEN1GAA
SCHEMBL8515925 0.82 ALOX5 (0.64) LMNAALDH1A1KDM4EMEN1GAA
SCHEMBL3888738 0.81 AR (0.59) ARLMNAALDH1A1KDM4EMEN1
SCHEMBL16585681 0.79 CTSV (0.57) LMNAMEN1GAAMAPTKMT2A
SCHEMBL8512448 0.79 KMT2A (0.50) LMNAALDH1A1KDM4EMEN1GAA
SCHEMBL19846945 0.78 KDM4E (0.58) LMNAALDH1A1KDM4EMEN1GAA
SCHEMBL28023307 0.76 LMNA (0.55) ARLMNAALDH1A1KDM4EMEN1
SCHEMBL30482846 0.76 ALDH1A1 (0.76) LMNAALDH1A1KDM4EMEN1GAA
SCHEMBL8512623 0.75 NPC1 (0.47) LMNAALDH1A1KDM4EMEN1GAA

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-7674906-B2 Tetracyclic immunomodulatory compounds ACTIVE BIOTECH AB (SE) 2010-03-09 US disclosed
US-7674906-B2 Tetracyclic immunomodulatory compounds ACTIVE BIOTECH AB (SE) 2010-03-09 US disclosed
EP-1572689-B1 TETRACYCLIC IMMUNOMODULATORY COMPOUNDS ACTIVE BIOTECH AB (SE) 2009-03-11 EP disclosed
US-20060035919-A1 Tetracylic immunomodulatory compounds ACTIVE BIOTECH AB (SE) 2006-02-16 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-20060035919-A1 Tetracylic immunomodulatory compounds ICOS, CD74, CD40 AR 2095/4885LMNA 4710/4885ALDH1A1 3873/4885

“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.