SCHEMBL1224645

SCHEMBL1224645

COc1ccc2ncc(F)c(N3CCC(NC(=O)OCc4ccccc4)CC3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
TSHR P16473 1/20 0.42
SMPD3 Q9NY59 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DPP4 P27487 3/20 0.40
DPP7 Q9UHL4 3/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL1222676 0.91 CTSL (0.40) KCNH2ALDH1A1GAACTSLCTSB
SCHEMBL17844920 0.86 KCNH2 (0.48) KCNH2SLC2A1
SCHEMBL1223261 0.83 ALDH1A1 (0.45) KCNH2ALDH1A1GAACTSLCTSB
SCHEMBL17861460 0.83 CKS1B (0.48) KCNH2CNR1CNR2SLC2A1
SCHEMBL1222889 0.80 DPP4 (0.41) SMN1; SMN2DPP4MEN1KMT2A
SCHEMBL1224641 0.78 MAP4K4 (0.49) KCNH2SYK
SCHEMBL1224644 0.78 MAP4K4 (0.49) KCNH2SYK
SCHEMBL13400346 0.77 KCNH2 (0.52) KCNH2CTSLCTSBCTSK
SCHEMBL1224380 0.76 ALDH1A1 (0.42) KCNH2ALDH1A1GAACTSLCTSB
SCHEMBL14610950 0.76 KCNH2 (0.52) KCNH2SLC2A1

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-2905283-B1 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2016-12-14 EP disclosed
EP-2915813-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-09-09 EP disclosed
EP-2905283-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-08-12 EP disclosed
US-8217029-B2 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2012-07-10 US disclosed
US-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2011-02-17 US 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-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS OXA1L, XDH, UBE2D3 KCNH2 912/4885ALDH1A1 1324/4885GAA 1263/4885

“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.