SCHEMBL3218271

SCHEMBL3218271

O=S(=O)(CCCN1CCCC1)NC1CC[CH]CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.35
RAD52 P43351 1/20 0.35
HRH3 Q9Y5N1 7/20 0.35
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MBTD1 Q05BQ5 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 1/20 0.33
MAPT P10636 1/20 0.33
BCHE P06276 1/20 0.32

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
SCHEMBL3220158 0.91 ALOX15 (0.35) SMYD3RAD52HRH3TP53CYP1A2
SCHEMBL3225086 0.87 HRH3 (0.35) SMYD3RAD52HRH3TP53CYP1A2
SCHEMBL3225680 0.83 ALOX15 (0.34) SMYD3RAD52HRH3TP53CYP1A2
SCHEMBL3218711 0.78 KDM1A (0.33) SMYD3RAD52HRH3TP53CYP1A2
SCHEMBL26071651 0.72 PSEN1 (0.44)
SCHEMBL4354178 0.69 SMYD3 (0.41) SMYD3HRH3CYP1A2MBTD1L3MBTL1
SCHEMBL5596703 0.69 SMYD3 (0.39) SMYD3SMN1; SMN2
SCHEMBL4202177 0.68 HRH3 (0.42) SMYD3HRH3CYP1A2SMN1; SMN2KCNH2
SCHEMBL4207692 0.66 SMYD3 (0.39) SMYD3HRH3CYP1A2MBTD1L3MBTL1
SCHEMBL10167789 0.66 HRH3 (0.43) HRH3CYP1A2CYP2D6MBTD1L3MBTL1

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-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2010-03-11 US disclosed
EP-2029578-A1 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-04 EP disclosed
WO-2007138277-A1 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2007-12-06 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-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION MKI67, CCNI, CDK2 SMYD3 4220/4885RAD52 1086/4885HRH3 2834/4885

“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.