SCHEMBL13417554

SCHEMBL13417554

CCOC(=O)/C(=C\N(C)C)C(=O)c1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
LMNA P02545 1/20 0.44
GLO1 Q04760 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 5/20 0.39
DHODH Q02127 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL3187232 1.00 MAPT (0.58) MAPTLMNAGLO1KMT2AMEN1
SCHEMBL3187242 1.00 MAPT (0.58) MAPTLMNAGLO1KMT2AMEN1
SCHEMBL3569867 0.85 ALDH1A1 (0.48) MAPTLMNAGLO1KMT2AMEN1
SCHEMBL3569865 0.85 ALDH1A1 (0.48) MAPTLMNAGLO1KMT2AMEN1
SCHEMBL14853125 0.81 MAPT (0.45) MAPTLMNAGLO1KMT2AMEN1
SCHEMBL17491137 0.81 MAPT (0.45) MAPTLMNAGLO1KMT2AMEN1
SCHEMBL31238871 0.81 MAPT (0.45) MAPTLMNAGLO1KMT2AMEN1
SCHEMBL275027 0.81 MAPT (0.47) MAPTLMNAGLO1KMT2AMEN1
SCHEMBL742994 0.81 MAPT (0.47) MAPTLMNAGLO1KMT2AMEN1
SCHEMBL742993 0.81 MAPT (0.47) MAPTLMNAGLO1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671069-B2 Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 CHEMOCENTRYX, INC. (US) 2010-03-02 US disclosed
US-20070254915-A1 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-11-01 US disclosed
WO-2007115232-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 WO 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-20070254915-A1 CXCR4 MODULATORS CXCL12, CXCR4, CXCR1 MAPT 2809/4885LMNA 4638/4885GLO1 4854/4885

“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.