SCHEMBL5452915

SCHEMBL5452915

c1ccc(CCCCNCc2ccc3[nH]c4c(c3c2)CCCC4NC2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RB1 P06400 7/20 0.60
CDC42 P60953 1/20 0.46
CYP2D6 P10635 2/20 0.43
CXCR4 P61073 1/20 0.43
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.41
CASP6 P55212 1/20 0.41
SIGMAR1 Q99720 4/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL5463397 0.97 RB1 (0.61) RB1CDC42CYP2D6CXCR4MEN1
SCHEMBL5447201 0.94 RB1 (0.60) RB1CDC42CYP2D6CXCR4MEN1
SCHEMBL5445881 0.85 RB1 (0.53) RB1MEN1GLAMAPTALOX15
SCHEMBL5454792 0.83 RB1 (0.60) RB1CDC42CYP2D6MEN1GLA
SCHEMBL5456906 0.82 RB1 (0.54) RB1CDC42CYP2D6MEN1GLA
SCHEMBL5453907 0.82 RB1 (0.58) RB1CDC42MEN1GLAMAPT
SCHEMBL5466585 0.81 RB1 (0.56) RB1CDC42CYP2D6MEN1GLA
SCHEMBL5458538 0.81 RB1 (0.63) RB1CDC42CYP2D6MEN1GLA
SCHEMBL5468093 0.81 RB1 (0.57) RB1MEN1GLAMAPTALOX15
SCHEMBL5466578 0.80 RB1 (0.62) RB1CDC42CYP2D6MEN1GLA

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-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 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-20070276009-A1 Compositions and Methods for Viral Inhibition MAVS, SARS1, ZC3HAV1 RB1 1821/4885CDC42 1241/4885CYP2D6 670/4885

“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.