SCHEMBL1398527

SCHEMBL1398527

CCOC(=O)CCn1ncc2c(C(=N)NO)cccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.42
CNR1 P21554 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE4B Q07343 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39
TNF P01375 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CXCR3 P49682 1/20 0.36
KMO O15229 1/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 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
SCHEMBL1398484 0.94 CNR1 (0.47) CREBBPCNR1MEN1KMT2APDE4B
SCHEMBL1398658 0.84 CYP11B2 (0.36) MEN1KMT2APDE4BALDH1A1MAPT
SCHEMBL1398482 0.82 CYP11B2 (0.37) MEN1KMT2APDE4BALDH1A1TP53
SCHEMBL1983509 0.82 MEN1 (0.46) CREBBPCNR1MEN1KMT2APDE4B
SCHEMBL1980052 0.81 KDM4E (0.39) CREBBPCNR1MEN1KMT2APDE4B
SCHEMBL1981917 0.81 TP53 (0.44) MEN1KMT2AALDH1A1TP53KDM4E
SCHEMBL12808853 0.80 KMT2A (0.43) CREBBPCNR1MEN1KMT2APDE4B
SCHEMBL12601128 0.80 KMT2A (0.43) CREBBPCNR1MEN1KMT2APDE4B
SCHEMBL22077230 0.80 MEN1 (0.46) CREBBPCNR1MEN1KMT2APDE4B
SCHEMBL401803 0.80 CREBBP (0.58) CREBBPCNR1ALDH1A1TNFLMNA

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
US-8324254-B2 Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (S1P) agonists GLAXO GROUP LIMITED (GB) 2012-12-04 US disclosed
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
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 (2 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 CREBBP 1117/4885CNR1 31/4885MEN1 2012/4885
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 CREBBP 856/4885CNR1 40/4885MEN1 1771/4885

“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.