SCHEMBL2304904

SCHEMBL2304904

C[C@@H]1CN(c2c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc(C(=O)c3ccccn3)c(F)c2F)C[C@H](C)O1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.36
LRRK2 Q5S007 1/20 0.34
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 2/20 0.33
RBP4 P02753 1/20 0.33
RAB9A P51151 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
NPC1 O15118 1/20 0.31
GRM4 Q14833 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
GLA P06280 1/20 0.30
DPP4 P27487 1/20 0.30
MAPT P10636 1/20 0.30
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL2511638 0.93 SCN9A (0.35) SCN9ALRRK2KMT2AALDH1A1MEN1
SCHEMBL2307695 0.93 SCN9A (0.35) SCN9ALRRK2KMT2AALDH1A1MEN1
SCHEMBL2509678 0.92 LRRK2 (0.34) SCN9ALRRK2KMT2AALDH1A1MEN1
SCHEMBL2306874 0.92 LRRK2 (0.34) SCN9ALRRK2KMT2AALDH1A1MEN1
SCHEMBL2506177 0.92 LRRK2 (0.32) SCN9ALRRK2KMT2AALDH1A1MEN1
SCHEMBL2505796 0.90 LRRK2 (0.33) SCN9ALRRK2KMT2AALDH1A1MEN1
SCHEMBL2310416 0.90 MAPK1 (0.38) SCN9ALRRK2KMT2AALDH1A1MEN1
SCHEMBL2309407 0.89 NPC1 (0.37) SCN9ALRRK2KMT2AALDH1A1MEN1
SCHEMBL2306214 0.89 KMT2A (0.32) SCN9ALRRK2KMT2AALDH1A1MEN1
SCHEMBL2306636 0.89 KMT2A (0.33) SCN9ALRRK2KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350077-B1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ENTASIS THERAPEUTICS LTD (GB) 2016-01-27 EP disclosed
US-20150368266-A1 CHEMICAL COMPOUNDS 542 ENTASIS THERAPEUTICS INC. 2015-12-24 US disclosed
US-9040528-B2 Chemical compounds 542 ASTRAZENECA AB (SE) 2015-05-26 US disclosed
US-20140128371-A1 CHEMICAL COMPOUNDS 542 ASTRAZENECA AB (SE) 2014-05-08 US disclosed
US-8658641-B2 Fused, spirocyclic heteroaromatic compounds for the treatment of bacterial infections ASTRAZENECA AB (SE) 2014-02-25 US disclosed
US-20110245224-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-10-06 US disclosed
EP-2350077-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS AstraZeneca AB (SE) 2011-08-03 EP disclosed
WO-2010043893-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-04-22 WO 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 (3 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-20150368266-A1 CHEMICAL COMPOUNDS 542 MRPL21, CFTR, CYP3A43 SCN9A 2808/4885LRRK2 3734/4885KMT2A 4283/4885
US-20110245224-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS SDHB, SDHA, RORC SCN9A 3178/4885LRRK2 2034/4885KMT2A 3960/4885
US-20140128371-A1 CHEMICAL COMPOUNDS 542 MRPL21, CFTR, CYP3A43 SCN9A 2808/4885LRRK2 3734/4885KMT2A 4283/4885

“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.