SCHEMBL1222889

SCHEMBL1222889

COc1ccc2ncc(F)c(N3CCCN(C(=O)OCc4ccccc4)CC3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
HDAC1 Q13547 1/20 0.41
PTGDR2 Q9Y5Y4 8/20 0.40
SLC29A1 Q99808 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PARP1 P09874 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
F2RL3 Q96RI0 1/20 0.38
TMEM97 Q5BJF2 3/20 0.38
SIGMAR1 Q99720 3/20 0.38

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
SCHEMBL1222803 0.83 CYP8B1 (0.43) HDAC1SLC29A1MEN1KMT2ANPSR1
SCHEMBL1224645 0.80 KCNH2 (0.44) DPP4MEN1KMT2ASMN1; SMN2
SCHEMBL1222676 0.78 CTSL (0.40) DPP4
SCHEMBL2945463 0.73 KCNH2 (0.44) SMN1; SMN2
SCHEMBL2952599 0.71 KCNH2 (0.42)
SCHEMBL16611411 0.71 MEN1 (0.69) DPP4MEN1KMT2ANPSR1NPC1
SCHEMBL1224674 0.71 CHRNB2 (0.45)
SCHEMBL5750818 0.70 GRM5 (0.41) HDAC1MEN1KMT2ANPSR1NPC1
SCHEMBL5232102 0.70 ALDH1A1 (0.47) DPP4PTGDR2MEN1KMT2ANPSR1
SCHEMBL29013207 0.70 PTGDR2 (0.42) DPP4HDAC1PTGDR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DPP4 1336/4885HDAC1 473/4885PTGDR2 677/4885

“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.