SCHEMBL5538547

SCHEMBL5538547

CC(C)Cc1scc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
ELANE P08246 1/20 0.36
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP2A6 P11509 1/20 0.34
PTGER1 P34995 1/20 0.34
CCR4 P51679 2/20 0.33
HTR1B P28222 2/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
NR2E1 Q9Y466 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL2090417 0.78 CYP2A6 (0.38) CNR1CNR2ALDH1A1CYP2A6CCR4
SCHEMBL17229290 0.75 LATS1 (0.38) ALDH1A1KDM4E
SCHEMBL2263945 0.74 SLC1A3 (0.35) CYP2A6
SCHEMBL2268282 0.74 SLC1A3 (0.35) CYP2A6
SCHEMBL2268277 0.74 SLC1A3 (0.32)
SCHEMBL2263940 0.74 SLC1A3 (0.32)
SCHEMBL9572752 0.74 CYP2A6 (0.44) ALDH1A1CYP2A6HTR1BTDP1KDM4E
SCHEMBL5842368 0.74 CYP2A6 (0.45) CNR2ALDH1A1CYP2A6TDP1KDM4E
SCHEMBL2095050 0.74 ALDH1A1 (0.35) ALDH1A1CYP2A6TDP1KDM4EMAPT
SCHEMBL9572751 0.74 CYP2A6 (0.35) ALDH1A1CYP2A6TDP1KDM4EMAPT

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-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CNR1 857/4885CNR2 1408/4885ELANE 3771/4885

“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.