SCHEMBL5217396

SCHEMBL5217396

Cc1cccc2nc(OCCCBr)ccc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 12/20 0.41
CYBB P04839 4/20 0.40
HTT P42858 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
HTR7 P34969 1/20 0.38
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NOX5 Q96PH1 1/20 0.37
LMNA P02545 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5213941 0.92 NCF1 (0.41) NCF1CYBBHTTCTDSP1HTR7
SCHEMBL6989745 0.83 NCF1 (0.40) NCF1CYBBHTTMAPTKMT2A
SCHEMBL827147 0.82 ADORA1 (0.44) NCF1CYBBHTTCTDSP1MAPT
SCHEMBL5216335 0.79 HTR7 (0.37) NCF1CYBBHTTCTDSP1HTR7
SCHEMBL827877 0.76 LMNA (0.49) NCF1MAPTKMT2AMEN1LMNA
SCHEMBL9199234 0.75 MEN1 (0.61) NCF1MAPTKMT2AMEN1
SCHEMBL27259421 0.72 RAB9A (0.49) HTTMAPTKMT2AMEN1LMNA
SCHEMBL203015 0.71 ELANE (0.44) PDE3BPDE3A
SCHEMBL5214763 0.71 NCF1 (0.36) NCF1CYBBHTTCTDSP1HTR7
SCHEMBL3268831 0.71 NCF1 (0.52) NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330460-B1 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2007-03-21 EP disclosed
US-6939871-B2 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C. (GB) 2005-09-06 US disclosed
US-20040063704-A1 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C (GB) 2004-04-01 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-20040063704-A1 Benzoxazinone derivatives, their preparation and use CYP2B6, CBR1, CYP2A6 NCF1 839/4885CYBB 688/4885HTT 2603/4885

“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.