SCHEMBL5456627

SCHEMBL5456627

Brc1cccc2c3c([nH]c12)C(NC1CCCCC1)CCC3

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RB1 P06400 10/20 0.65
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2D6 P10635 2/20 0.40
NISCH Q9Y2I1 1/20 0.39
CTSK P43235 1/20 0.37
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRD3 Q15059 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CDC42 P60953 1/20 0.33

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
SCHEMBL16433481 0.83 KDM4E (0.47) RB1KDM4EHSD17B10CYP2D6NISCH
SCHEMBL4196380 0.79 RB1 (1.00) RB1CYP2D6KCNH2MEN1GLA
Hydrochloric Acid SCHEMBL4162233 0.78 RB1 (1.00) RB1CYP2D6KCNH2MEN1GLA
SCHEMBL4194257 0.77 CDC42 (0.43) RB1KDM4EHSD17B10CYP2D6NISCH
Hydrochloric Acid SCHEMBL4148128 0.76 RB1 (0.43) RB1KDM4EHSD17B10CYP2D6NISCH
SCHEMBL4156109 0.76 HSD17B10 (0.50) RB1KDM4EHSD17B10CYP2D6NISCH
SCHEMBL5449828 0.75 CDC42 (0.46) RB1KDM4EHSD17B10CYP2D6NISCH
SCHEMBL5456571 0.75 RB1 (0.69) RB1CYP2D6KCNH2MEN1GLA
SCHEMBL5394699 0.75 RB1 (0.69) RB1CYP2D6KCNH2MEN1GLA
SCHEMBL5454278 0.75 RB1 (0.43) RB1KDM4EHSD17B10CYP2D6NISCH

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 1821/4885KDM4E 2869/4885HSD17B10 902/4885

“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.