SCHEMBL5216612

SCHEMBL5216612

COc1c(F)ccc2nc(C)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.44
ALDH1A1 P00352 3/20 0.39
APP P05067 2/20 0.39
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
GAK O14976 1/20 0.37
NQO2 P16083 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.36
ADORA1 P30542 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GPR35 Q9HC97 1/20 0.35
NCF1 P14598 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SYK P43405 1/20 0.35
RAD52 P43351 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
SCHEMBL20441840 0.81 ALDH1A1 (0.49) POLBALDH1A1APPNQO2KDM4E
SCHEMBL5216844 0.78 NCF1 (0.44) ALDH1A1HTR1AHTR1DHTR1BKDM4E
SCHEMBL9248212 0.77 ALDH1A1 (0.43) POLBALDH1A1KDM4ECYP1A2
SCHEMBL4058945 0.77 ALDH1A1 (0.43) POLBALDH1A1KDM4ECYP1A2KMT2A
SCHEMBL1727874 0.75 ALDH1A1 (0.38) POLBALDH1A1NQO2KDM4EHSD17B10
SCHEMBL1727876 0.75 ALDH1A1 (0.38) POLBALDH1A1NQO2KDM4EHSD17B10
SCHEMBL23724854 0.75 POLB (0.54) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5215349 0.74 ALDH1A1 (0.41) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31556360 0.74 ALDH1A1 (0.41) POLBALDH1A1KDM4ECYP1A2
SCHEMBL564237 0.74 KDM4E (0.44) POLBALDH1A1NQO2KDM4EHPGD

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-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
EP-1330460-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2003-07-30 EP disclosed
WO-2002034754-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-02 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-20040063704-A1 Benzoxazinone derivatives, their preparation and use CYP2B6, CBR1, CYP2A6 POLB 4222/4885ALDH1A1 1181/4885APP 4801/4885

“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.