SCHEMBL2312015

SCHEMBL2312015

C[C@@H]1CN(c2c(C=O)cc(C(=O)c3cnccn3)c(F)c2F)C[C@H](C)O1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.34
MGLL Q99685 1/20 0.33
MAPT P10636 2/20 0.32
USP30 Q70CQ3 1/20 0.32
GSK3B P49841 1/20 0.32
TSHR P16473 1/20 0.31
SCN9A Q15858 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
RAB9A P51151 1/20 0.31
MMP2 P08253 1/20 0.31
ANPEP P15144 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL2308280 0.86 SCN9A (0.40) KDM4EHTTNPC1MAPTSCN9A
SCHEMBL2308459 0.84 KDM4E (0.39) KDM4EHTTNPC1MGLLMAPT
SCHEMBL2309430 0.80 KDM4E (0.39) KDM4EHTTNPC1MAPTUSP30
SCHEMBL2305202 0.79 TSHR (0.38) KDM4EHTTNPC1MAPTUSP30
SCHEMBL3073265 0.79 KDM4E (0.38) KDM4EHTTNPC1MAPTUSP30
SCHEMBL4504700 0.79 KDM4E (0.42) KDM4EHTTNPC1MAPTGSK3B
SCHEMBL2310203 0.78 ALDH1A1 (0.45) KDM4ENPC1MAPTSCN9ARAB9A
SCHEMBL2305463 0.76 TSHR (0.36) KDM4EHTTNPC1MAPTUSP30
SCHEMBL3070258 0.76 KDM4E (0.39) KDM4EHTTMAPTRAB9ATDP1
SCHEMBL2509678 0.74 LRRK2 (0.34) KDM4EHTTNPC1SCN9A

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 KDM4E 4091/4885HTT 3817/4885NPC1 148/4885
US-20110245224-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS SDHB, SDHA, RORC KDM4E 4677/4885HTT 4044/4885NPC1 309/4885
US-20140128371-A1 CHEMICAL COMPOUNDS 542 MRPL21, CFTR, CYP3A43 KDM4E 4091/4885HTT 3817/4885NPC1 148/4885

“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.