SCHEMBL1980425

SCHEMBL1980425

CCOC(=O)CCCn1ncc2cc(C(=N)NO)c(C)cc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
KMO O15229 3/20 0.38
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BRD4 O60885 1/20 0.37
TNF P01375 9/20 0.36
CNR1 P21554 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR2 P34972 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL1982374 0.91 KDM4E (0.39) KDM4EKMOPDE4BPDE4DHSD17B10
SCHEMBL1980190 0.90 KMO (0.41) KDM4EKMOPDE4BPDE4DHSD17B10
SCHEMBL1981270 0.89 TNF (0.41) KDM4EKMOPDE4BPDE4DTNF
SCHEMBL1398562 0.85 KDM4E (0.41) KDM4EKMOPDE4BPDE4DHSD17B10
SCHEMBL1980738 0.82 TNF (0.43) KDM4EKMOPDE4BPDE4DHSD17B10
SCHEMBL1398484 0.79 CNR1 (0.47) KDM4EPDE4BPDE4DHSD17B10TNF
SCHEMBL1980052 0.79 KDM4E (0.39) KDM4EPDE4BPDE4DHSD17B10TNF
SCHEMBL1398637 0.79 KMO (0.43) KMOHSD17B10BRD4CNR2MAPT
SCHEMBL13583403 0.78 TNF (0.44) KDM4EKMOPDE4BPDE4DHSD17B10
SCHEMBL1981526 0.76 KMO (0.46) KDM4EKMOPDE4BPDE4DHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 US disclosed
EP-2513095-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-10-24 EP disclosed
WO-2011072488-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-06-23 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 (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-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 KDM4E 4290/4885KMO 3130/4885PDE4B 260/4885

“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.