SCHEMBL10175239

SCHEMBL10175239

CCCNCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.40
HTT P42858 2/20 0.40
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SMYD2 Q9NRG4 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
DRD2 P14416 4/20 0.35
DRD4 P21917 4/20 0.35
DRD3 P35462 4/20 0.35
HTR1A P08908 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
CYP2D6 P10635 1/20 0.33
SCN1A P35498 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SCN3A Q9NY46 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
SCHEMBL554231 0.94 HTT (0.41) HTTCYP3A4SMN1; SMN2SMYD2DRD2
SCHEMBL31682488 0.91 KDM4E (0.41) HTTCYP3A4SMN1; SMN2SIGMAR1DRD2
SCHEMBL553453 0.89 HTT (0.51) HTR1BHTTCYP3A4SMN1; SMN2SMYD2
SCHEMBL29135908 0.88 SIGMAR1 (0.45) HTTSIGMAR1DRD2DRD4DRD3
SCHEMBL31704177 0.86 ALDH1A1 (0.42) HTR1BHTTCYP3A4SMN1; SMN2
SCHEMBL20954569 0.84 SIGMAR1 (0.43) HTTCYP3A4SMN1; SMN2SMYD2SIGMAR1
SCHEMBL706843 0.83 SMYD2 (0.40) HTTCYP3A4SMN1; SMN2SMYD2
SCHEMBL4398294 0.82 ALDH1A1 (0.42) DRD2DRD4DRD3
SCHEMBL31618578 0.82 LTA4H (0.42) HTTCYP3A4SMN1; SMN2SMYD2
SCHEMBL553963 0.82 HTR1B (0.46) HTR1BHTTCYP3A4SMN1; SMN2SMYD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160176906-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-06-23 US disclosed
US-9248140-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-02-02 US disclosed
US-20150328239-A1 Chemical Compounds ASTRAZENECA AB (SE) 2015-11-19 US disclosed
US-9018381-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-04-28 US disclosed
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (UK) 2013-11-21 US disclosed
US-20120035134-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 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 (4 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-20120035134-A1 CHEMICAL COMPOUNDS BCL2, BCL2L1, BAX HTR1B 2686/4885HTT 3192/4885CYP3A4 1309/4885
US-20150328239-A1 Chemical Compounds BCL2, BCL2L1, BAX HTR1B 2686/4885HTT 3192/4885CYP3A4 1309/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX HTR1B 2686/4885HTT 3192/4885CYP3A4 1309/4885
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BCL2, BAX, BCLAF1 HTR1B 3542/4885HTT 3761/4885CYP3A4 3076/4885

“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.