SCHEMBL106003

SCHEMBL106003

CC(C)(C)[SiH2]OC(C)(C)c1c(B2OC(C)(C)C(C)(C)O2)cccc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL106624 0.79 LPL (0.31)
SCHEMBL103771 0.76 TDP1 (0.55) TDP1TSHRSMN1; SMN2
SCHEMBL30746464 0.76 TDP1 (0.55) TDP1TSHRSMN1; SMN2
SCHEMBL2537553 0.75 TDP1 (0.42) TDP1TSHRSMN1; SMN2NPSR1
SCHEMBL7690779 0.74 HSD17B10 (0.44) TDP1TSHRSMN1; SMN2NPSR1
SCHEMBL31130611 0.74 HSD17B10 (0.44) TDP1TSHRSMN1; SMN2NPSR1
SCHEMBL29744902 0.72 TDP1 (0.41) TDP1TSHRSMN1; SMN2NPSR1
SCHEMBL1706340 0.72 TDP1 (0.41) TDP1TSHRSMN1; SMN2NPSR1
SCHEMBL30129134 0.72 TDP1 (0.55) TDP1TSHRSMN1; SMN2
SCHEMBL20681552 0.72 TDP1 (0.55) TDP1TSHRSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205564-B1 NOVEL KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2014-07-30 EP disclosed
EP-2426109-B1 NOVEL KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-18 EP disclosed
EP-2426109-A1 NOVEL KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-07 EP disclosed
US-7943618-B2 Btk protein kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-05-17 US disclosed
EP-2205564-A1 NOVEL KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
WO-2009053269-A1 NOVEL KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 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-20090105209-A1 BTK protein kinase inhibitors BTK, SYK, LYN TDP1 419/4885TSHR 1229/4885SMN1; SMN2 4495/4885

“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.