SCHEMBL3585953

SCHEMBL3585953

C1CCN(CCNC2CCOCC2)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.51
SIGMAR1 Q99720 1/20 0.44
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
EPHX1 P07099 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
VCP P55072 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6977293 0.89 LMNA (0.47) RAD52EPHX1GAAALDH1A1KCNH2
SCHEMBL12838201 0.86 RAD52 (0.60) RAD52SIGMAR1CARM1PRMT6PRMT8
SCHEMBL45801 0.84 RAD52 (0.50) RAD52EPHX1GAAALDH1A1VCP
SCHEMBL26402688 0.84 RAD52 (0.44) RAD52SIGMAR1CARM1PRMT6PRMT8
SCHEMBL4281737 0.84 RAD52 (0.63) RAD52SIGMAR1CARM1PRMT6PRMT8
SCHEMBL1321471 0.83 RAD52 (0.64) RAD52EPHX1GAAALDH1A1CA12
Hydrochloric Acid SCHEMBL2730502 0.82 RAD52 (0.49) RAD52EPHX1GAAALDH1A1VCP
SCHEMBL3446318 0.82 RAD52 (0.72) RAD52SIGMAR1CARM1PRMT6PRMT8
SCHEMBL6977228 0.79 HPGD (0.51) EPHX1GAAALDH1A1VCPLMNA
SCHEMBL3605906 0.78 RAD52 (0.53) RAD52SIGMAR1CARM1PRMT6PRMT8

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-20100069417-A1 NOVEL PHENYL(4-PHENYLPYRIMIDIN-2-YL)AMINE DERIVATIVES, THEIR PREPARATION, AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-03-18 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-20100069417-A1 NOVEL PHENYL(4-PHENYLPYRIMIDIN-2-YL)AMINE DERIVATIVES, THEIR PREPARATION, AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS IKBKB, NFKBIA, IKBKE RAD52 3565/4885SIGMAR1 3038/4885CARM1 896/4885

“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.