SCHEMBL734832

SCHEMBL734832

CC1C(=O)N(C(CO)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCN1c1cccc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.36
HTR7 P34969 1/20 0.35
NOTUM Q6P988 1/20 0.34
SMYD2 Q9NRG4 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSP90AA1 P07900 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
SLC6A9 P48067 1/20 0.33
MGLL Q99685 2/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL734829 0.92 POLB (0.36) SMN1; SMN2POLBHTR7NOTUMSMYD2
SCHEMBL734902 0.87 HSD17B10 (0.38) SMN1; SMN2LMNAPOLBNOTUMALDH1A1
SCHEMBL734524 0.77 NOTUM (0.36) NOTUM
SCHEMBL735209 0.77 POLB (0.44) SMN1; SMN2LMNAPOLBHTR7NOTUM
SCHEMBL734745 0.73 HTR7 (0.39) SMN1; SMN2LMNAPOLBHTR7HSD17B10
SCHEMBL734746 0.73 HTR7 (0.39) SMN1; SMN2LMNAPOLBHTR7HSD17B10
SCHEMBL734727 0.72 HSD17B10 (0.45) SMN1; SMN2LMNAPOLBHTR7NOTUM
SCHEMBL733294 0.72 HTR7 (0.40) SMN1; SMN2LMNAPOLBHTR7ALDH1A1
SCHEMBL734643 0.68 HSD17B10 (0.44) SMN1; SMN2LMNAPOLBHTR7ALDH1A1
SCHEMBL736706 0.68 HTR7 (0.37) LMNAPOLBHTR7

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-8138175-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-28 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-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 SMN1; SMN2 4455/4885LMNA 3760/4885POLB 4167/4885

“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.