SCHEMBL7723905

SCHEMBL7723905

CC(C)(C)[Si](C)(C)OCCNCCN1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
SIGMAR1 Q99720 3/20 0.36
HRH3 Q9Y5N1 4/20 0.36
ACE2 Q9BYF1 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
PSMB1 P20618 2/20 0.34
PSMB5 P28074 2/20 0.34
PSMB2 P49721 2/20 0.34
PIM1 P11309 2/20 0.34
KDM1A O60341 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL16154344 0.89 HRH3 (0.38) CARM1PRMT6PRMT8HRH3PIM1
SCHEMBL26998850 0.86 TDP1 (0.41) PIM1KDM1ACA12CA1CA2
SCHEMBL14855784 0.83 PSMB1 (0.42) HRH3PSMB1PSMB5PSMB2KDM4E
SCHEMBL14672939 0.82 NPC1 (0.32) ACE2
SCHEMBL14672940 0.82 ACE2 (0.31) ACE2
SCHEMBL30123669 0.80 HRH3 (0.46) HRH3
SCHEMBL844556 0.79 DUT (0.33)
SCHEMBL15166734 0.77 DUT (0.33)
SCHEMBL12465632 0.75 ACE2 (0.33) ACE2
SCHEMBL13451316 0.74 TDP1 (0.49) CARM1PRMT6PRMT8SIGMAR1HRH3

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-6420398-B2 FOR TREATING AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS; 4-(3-(2-(ACETYLTHIO)ETHYL)-3-(2-CYCLOHEXYLETHYL)-UREIDOMETHYL)-1 -METHYLPYRIDINIUM IODIDE, FOR EXAMPLE; INHIBIT PRODUCTION OF TUMOR NECROSIS FACTOR ALPHA (TNF-A) SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
US-20010041725-A1 Novel urea derivatives having nitrogen aromatic heterocycle SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-11-15 US disclosed
EP-1103543-A1 NOVEL UREA DERIVATIVES BEARING NITROGENOUS AROMATIC HETEROCYCLES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 EP 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-20010041725-A1 Novel urea derivatives having nitrogen aromatic heterocycle TNF, UACA, HRH4 CARM1 963/4885PRMT6 141/4885PRMT8 218/4885

“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.