SCHEMBL1398428

SCHEMBL1398428

CCOC(=O)CCn1cc2c(C(=N)NO)cccc2n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.40
CREBBP Q92793 1/20 0.40
CNR1 P21554 2/20 0.39
TOP2A P11388 2/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
PDE4B Q07343 1/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
TNF P01375 1/20 0.35
GLA P06280 1/20 0.34

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
SCHEMBL1398490 0.94 CNR1 (0.45) PDE4DCREBBPCNR1TOP2ALMNA
SCHEMBL12808842 0.80 CREBBP (0.40) PDE4DCREBBPCNR1TOP2ALMNA
SCHEMBL1398581 0.76 MAPT (0.45) PDE4DCREBBPTOP2ALMNAALDH1A1
SCHEMBL1398527 0.76 CREBBP (0.42) CREBBPCNR1LMNAALDH1A1MAPT
SCHEMBL401803 0.76 CREBBP (0.58) CREBBPCNR1LMNAALDH1A1SMN1; SMN2
SCHEMBL12809066 0.74 CNR1 (0.42) CREBBPCNR1TOP2ALMNATNF
SCHEMBL2627042 0.74 MAPT (0.47) CREBBPTOP2ALMNAALDH1A1MAPT
SCHEMBL1398484 0.72 CNR1 (0.47) PDE4DCREBBPCNR1TOP2APDE4B
SCHEMBL402819 0.72 CNR1 (0.59) CREBBPCNR1LMNAALDH1A1TNF
SCHEMBL2125588 0.70 FPR2 (0.41) CREBBPLMNAALDH1A1TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324254-B2 Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (S1P) agonists GLAXO GROUP LIMITED (GB) 2012-12-04 US disclosed
EP-2137181-B1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LTD (GB) 2011-03-02 EP disclosed
US-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED 2010-05-06 US disclosed
EP-2137181-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2008128951-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 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-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS S1PR1, S1PR3, S1PR2 PDE4D 371/4885CREBBP 1117/4885CNR1 31/4885

“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.