SCHEMBL13417536

SCHEMBL13417536

CCCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.76
TP53 P04637 1/20 0.74
GAA P10253 2/20 0.72
MAPT P10636 5/20 0.71
ALOX15 P16050 1/20 0.67
TSHR P16473 1/20 0.67
KDM4E B2RXH2 1/20 0.65
HTT P42858 1/20 0.62

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
SCHEMBL3186505 0.89 NPSR1 (0.70) NPSR1TP53GAAMAPTALOX15
SCHEMBL3177866 0.88 TP53 (0.71) NPSR1TP53GAAMAPTALOX15
SCHEMBL3196915 0.84 NPSR1 (0.70) NPSR1TP53GAAMAPTALOX15
SCHEMBL3186151 0.83 HTT (0.69) NPSR1TP53GAAMAPTALOX15
SCHEMBL3189513 0.83 HTT (0.73) NPSR1TP53GAAMAPTALOX15
SCHEMBL13417539 0.82 TP53 (0.62) NPSR1TP53GAAMAPTTSHR
SCHEMBL3203584 0.82 NPSR1 (0.64) NPSR1TP53GAAMAPTALOX15
SCHEMBL3188569 0.82 HTT (0.67) NPSR1TP53GAAMAPTALOX15
SCHEMBL13182163 0.82 TP53 (0.69) NPSR1TP53
SCHEMBL3189907 0.82 NPSR1 (0.66) NPSR1TP53GAAMAPTALOX15

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-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

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 NPSR1 2297/4885TP53 1777/4885GAA 1982/4885

“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.