SCHEMBL2575455

SCHEMBL2575455

COc1cc(NC(=S)Nc2cccc(Br)c2O)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 9/20 0.50
GAA P10253 6/20 0.50
RAB9A P51151 1/20 0.50
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.48
KMT2A Q03164 3/20 0.47
BCHE P06276 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL10662571 0.78 KDM4E (0.67) KDM4EALDH1A1GAARAB9AHPGD
SCHEMBL6296160 0.76 KDM4E (0.69) KDM4EALDH1A1GAARAB9AHPGD
SCHEMBL14031287 0.71 KDM4E (0.57) KDM4EALDH1A1GAARAB9AHPGD
SCHEMBL2575457 0.71 BCHE (0.46) ALDH1A1GAAHPGDSMN1; SMN2LMNA
SCHEMBL6817059 0.70 MAPT (0.62) KDM4EALDH1A1GAARAB9AHPGD
SCHEMBL457214 0.70 KDM4E (0.56) KDM4EALDH1A1GAARAB9AHPGD
SCHEMBL4346250 0.69 MEN1 (0.59) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL4347342 0.69 MEN1 (0.59) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL2764566 0.69 ATM (0.61) KDM4EALDH1A1GAARAB9AHPGD
SCHEMBL4357296 0.68 POLB (0.56) ALDH1A1HPGDSMN1; SMN2KMT2ABCHE

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-8629168-B2 Benzoxazoles and oxazolopyridines being useful as janus kinases inhibitors NOVARTIS AG (CH) 2014-01-14 US disclosed
CN-101516860-B Benzoxazoles and oxazolopyridines being useful as FANUS kinases inhibitors NOVARTIS AG 2012-06-27 CN disclosed
EP-2066647-B1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2011-11-09 EP disclosed
US-20100009978-A1 Benzoxazoles and Oxazolopyridines Being Useful as Janus Kinases Inhibitors NOVARTIS AG 2010-01-14 US disclosed
CN-101516860-A Benzoxazoles and oxazolopyridines being useful as FANUS kinases inhibitors NOVARTIS AG (CH) 2009-08-26 CN disclosed
EP-2066647-A1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS Novartis AG (CH) 2009-06-10 EP disclosed
WO-2008031594-A1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2008-03-20 WO disclosed
EP-1900729-A1 Benzoxazoles and oxazolopyridines being useful as Janus kinases inhibitors Novartis AG (CH) 2008-03-19 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-20100009978-A1 Benzoxazoles and Oxazolopyridines Being Useful as Janus Kinases Inhibitors JAK2, JAK3, JAK1 KDM4E 715/4885ALDH1A1 1245/4885GAA 2280/4885

“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.