SCHEMBL2510282

SCHEMBL2510282

C[C@@H]1CN(c2c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc(C(=O)c3cncnc3)c(F)c2Cl)C[C@H](C)O1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
LRRK2 Q5S007 1/20 0.31
SCN9A Q15858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2308555 0.92 LRRK2 (0.33) ALDH1A1MEN1GAAKMT2ALRRK2
SCHEMBL2509469 0.92 NPC1 (0.35) ALDH1A1MEN1GAAKMT2ALRRK2
SCHEMBL2511802 0.89 LRRK2 (0.39) ALDH1A1MEN1GAAKMT2ALRRK2
SCHEMBL2304851 0.89 ALDH1A1 (0.35) ALDH1A1MEN1GAAKMT2ALRRK2
SCHEMBL2506176 0.88 SCN9A (0.34) ALDH1A1MEN1GAAKMT2ALRRK2
SCHEMBL2309302 0.87 LRRK2 (0.33) ALDH1A1MEN1GAAKMT2ALRRK2
SCHEMBL2312393 0.87 SLC16A3 (0.31) ALDH1A1MEN1GAAKMT2ASCN9A
SCHEMBL2507386 0.87 TNKS (0.32) ALDH1A1MEN1GAAKMT2ALRRK2
SCHEMBL2511638 0.87 SCN9A (0.35) ALDH1A1MEN1GAAKMT2ALRRK2
SCHEMBL2310416 0.85 MAPK1 (0.38) ALDH1A1MEN1GAAKMT2ALRRK2

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
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

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 ALDH1A1 535/4885MEN1 488/4885GAA 408/4885
US-20110245224-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS SDHB, SDHA, RORC ALDH1A1 664/4885MEN1 1594/4885GAA 805/4885
US-20140128371-A1 CHEMICAL COMPOUNDS 542 MRPL21, CFTR, CYP3A43 ALDH1A1 535/4885MEN1 488/4885GAA 408/4885

“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.