SCHEMBL4515458

SCHEMBL4515458

O=S(=O)(CCCN1CCCC1)N1C[C@H]2[CH][C@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.40
HRH3 Q9Y5N1 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 1/20 0.35
IKBKB O14920 3/20 0.34
LOX P28300 1/20 0.34
HTR4 Q13639 1/20 0.34
KCNH2 Q12809 2/20 0.33
MBTD1 Q05BQ5 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR7 P34969 1/20 0.33
TSHR P16473 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
SCHEMBL4511202 0.98 HRH3 (0.39) SMYD3HRH3SMN1; SMN2ALOX15IKBKB
SCHEMBL4504695 0.90 PARP1 (0.38) SMYD3HRH3SMN1; SMN2ALOX15LOX
SCHEMBL4354178 0.76 SMYD3 (0.41) SMYD3HRH3SMN1; SMN2ALOX15IKBKB
SCHEMBL4202177 0.75 HRH3 (0.42) SMYD3HRH3SMN1; SMN2ALOX15IKBKB
SCHEMBL4500677 0.74 HRH3 (0.31) HRH3
SCHEMBL4343696 0.73 SMYD3 (0.37) SMYD3HRH3SMN1; SMN2ALOX15IKBKB
SCHEMBL4207692 0.72 SMYD3 (0.39) SMYD3HRH3SMN1; SMN2ALOX15IKBKB
SCHEMBL4511299 0.71 IKBKB (0.33) SMYD3IKBKB
SCHEMBL4506004 0.69 HRH3 (0.31) HRH3
Hydrochloric Acid SCHEMBL6619251 0.67 HRH3 (0.50) HRH3SMN1; SMN2LOXKCNH2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-11-05 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-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION CCNI, MKI67, CDK2 SMYD3 4052/4885HRH3 3450/4885SMN1; SMN2 1708/4885

“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.