SCHEMBL15318098

SCHEMBL15318098

CCN(CC)c1ccc2c(c1)CC1=CC(=[N+](CC)CC)C=CC1=C2c1ccc(NC(=S)NCCC[Si](OC)(OC)OC)cc1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 1/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ KDM4C Q9H3R0 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
SCHEMBL15318100 0.75 MEN1 (0.31) —
Hydrochloric Acid SCHEMBL30887172 0.73 CA12 (0.41) TLR7CA12CA1CA2CA9
SCHEMBL15672423 0.70 TDP1 (0.36) —
SCHEMBL16674126 0.66 HSP90AA1 (0.38) —
SCHEMBL14268588 0.64 TDP1 (0.38) —
SCHEMBL15985647 0.62 ALDH1A1 (0.30) —
SCHEMBL15177503 0.60 SMN1; SMN2 (0.39) —
SCHEMBL19822481 0.58 ALDH1A1 (0.59) —
SCHEMBL11519365 0.58 KDM4C (0.56) KDM4C
SCHEMBL19822472 0.57 NPC1 (0.54) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9028880-B2 Silica nanoparticle agent conjugates THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-05-12 — — US disclosed
US-20130274226-A1 SILICA NANOPARTICLE AGENT CONJUGATES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-10-17 — — 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-20130274226-A1 SILICA NANOPARTICLE AGENT CONJUGATES TST, NCL, MSN TLR7 3725/4885CA12 278/4885CA1 427/4885

“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.

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