SCHEMBL749617

SCHEMBL749617

COc1cccc(OC)c1C1NC(=O)CO1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
KDM4E B2RXH2 3/20 0.37
LMNA P02545 1/20 0.37
CREBBP Q92793 1/20 0.37
ACHE P22303 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TIPARP Q7Z3E1 1/20 0.36
HPGD P15428 1/20 0.36
HTR2A P28223 1/20 0.35
CYP2A6 P11509 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GLA P06280 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL752251 0.71 TCF4 (0.38) L3MBTL1KDM4ELMNACREBBPACHE
SCHEMBL752252 0.71 TCF4 (0.38) L3MBTL1KDM4ELMNACREBBPACHE
SCHEMBL752648 0.71 TCF4 (0.38) L3MBTL1KDM4ELMNACREBBPACHE
SCHEMBL27846941 0.71 TLR2 (0.34) KDM4EACHEALDH1A1CYP2A6GAA
SCHEMBL754071 0.70 ALDH1A1 (0.39) L3MBTL1CRHBPCRHR2KDM4ELMNA
SCHEMBL752066 0.70 HTR2A (0.46) KDM4ELMNAALDH1A1HTR2AGAA
SCHEMBL8363251 0.69 HTR1A (0.52) ACHE
SCHEMBL11147844 0.69 HSD11B1 (0.50) L3MBTL1MEN1KMT2A
SCHEMBL8729638 0.69 HTR1A (0.49) ACHE
SCHEMBL7743426 0.69 HTR1A (0.52) ACHE

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
EP-2430004-B1 NOVEL OXAZOLIDINONE DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
US-8329706-B2 Oxazolidinone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-12-11 US disclosed
US-20120101111-A1 NOVEL OXAZOLIDINONE DERIVIATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US disclosed
EP-2430004-A2 NOVEL OXAZOLIDINONE DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-21 EP disclosed
WO-2010131192-A2 NOVEL OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 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-20120101111-A1 NOVEL OXAZOLIDINONE DERIVIATIVES HCRTR2, HCRTR1, NPY4R L3MBTL1 4628/4885CRHBP 445/4885CRHR2 17/4885

“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.