SCHEMBL3225086

SCHEMBL3225086

O=S(=O)(CCCN1CCCC1)NC1C[CH]CCC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.35
SMYD3 Q9H7B4 2/20 0.34
RAD52 P43351 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MBTD1 Q05BQ5 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAPT P10636 1/20 0.31
BCHE P06276 1/20 0.31

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
SCHEMBL3218711 0.92 KDM1A (0.33) HRH3SMYD3RAD52TP53CYP1A2
SCHEMBL3218271 0.87 SMYD3 (0.35) HRH3SMYD3RAD52TP53CYP1A2
SCHEMBL3225680 0.85 ALOX15 (0.34) HRH3SMYD3RAD52TP53CYP1A2
SCHEMBL3220158 0.78 ALOX15 (0.35) HRH3SMYD3RAD52TP53CYP1A2
SCHEMBL73357 0.76 SMYD3 (0.37) SMYD3SMN1; SMN2
SCHEMBL5597122 0.74 CA1 (0.33) SMYD3CYP3A4TSHRSMN1; SMN2MAPT
SCHEMBL8973179 0.72 EPHX1 (0.38)
SCHEMBL3227797 0.69 SIGMAR1 (0.51) SMYD3SMN1; SMN2MAPT
SCHEMBL27784377 0.67 CA1 (0.57) SMN1; SMN2
SCHEMBL28644749 0.67 CA12 (0.35) SMN1; SMN2

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-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2010-03-11 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-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION MKI67, CCNI, CDK2 HRH3 2834/4885SMYD3 4220/4885RAD52 1086/4885

“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.