SCHEMBL2107339

SCHEMBL2107339

NCC1COC(=O)N1c1ccc(Br)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 9/20 0.38
BPTF Q12830 1/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
QPCT Q16769 2/20 0.34
KDM1A O60341 3/20 0.33
KCNH2 Q12809 2/20 0.33
RCOR1 Q9UKL0 1/20 0.33
KDM1B Q8NB78 1/20 0.33
PIK3CA P42336 2/20 0.32
MTOR P42345 2/20 0.32

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
SCHEMBL8251051 0.87 IDH1 (0.38) IDH1HDAC1HDAC8HDAC6QPCT
SCHEMBL8256262 0.84 PIK3CA (0.37) IDH1HDAC1HDAC8HDAC6QPCT
SCHEMBL8125549 0.82 HDAC1 (0.35) IDH1BPTFHDAC1HDAC8HDAC6
SCHEMBL15152621 0.81 IDH1 (0.35) IDH1HDAC1HDAC8HDAC6QPCT
SCHEMBL18770297 0.81 IDH1 (0.33) IDH1HDAC1HDAC8HDAC6QPCT
SCHEMBL6675442 0.78 MAOB (0.47) QPCT
SCHEMBL6098143 0.78 CMA1 (0.36) IDH1BPTFQPCT
SCHEMBL6607557 0.77 IDH1 (0.37) IDH1BPTFHDAC1HDAC8HDAC6
SCHEMBL6625580 0.77 IDH1 (0.37) IDH1BPTFHDAC1HDAC8HDAC6
SCHEMBL17287889 0.76 HSP90AA1 (0.42) IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150336992-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS MORPHOCHEM AG FÜR KOMBINATORISCHE CHEMIE (DE) 2015-11-26 US disclosed
US-9133213-B2 Oxazolidinone-quinolone hybrid antibiotics Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2015-09-15 US disclosed
EP-1709044-B2 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS MORPHOCHEM AG KOMB CHEMIE (DE) 2013-11-20 EP disclosed
US-20130296275-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS MORPHOCHEM AG KOMB CHEMIE (DE) 2013-11-07 US disclosed
US-8501774-B2 Oxazolidinone-quinolone hybrid antibiotics Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2013-08-06 US disclosed
US-20120142635-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2012-06-07 US disclosed
US-8158797-B2 Oxazolidinone-quinolone hybrid antibiotics MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2012-04-17 US disclosed
EP-1709044-B1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS MORPHOCHEM AG KOMB CHEMIE (DE) 2008-07-16 EP disclosed
US-20080027040-A1 Oxazolidinone-Quinolone Hybrid Antibiotics MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE (DE) 2008-01-31 US disclosed
EP-1709044-A2 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2006-10-11 EP disclosed
WO-2005058888-A2 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2005-06-30 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 (4 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-20150336992-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS OXA1L, TOP1, TOP2A IDH1 607/4885BPTF 906/4885HDAC1 893/4885
US-20120142635-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS OXA1L, TOP1, TOP2A IDH1 607/4885BPTF 906/4885HDAC1 893/4885
US-20080027040-A1 Oxazolidinone-Quinolone Hybrid Antibiotics OXA1L, TOP1, TOP2A IDH1 607/4885BPTF 906/4885HDAC1 893/4885
US-20130296275-A1 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS OXA1L, TOP1, TOP2A IDH1 607/4885BPTF 906/4885HDAC1 893/4885

“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.