SCHEMBL5215913

SCHEMBL5215913

COc1ccc(C=C2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
STS P08842 2/20 0.45
CPS1 P31327 2/20 0.45
EPHX2 P34913 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
GPR119 Q8TDV5 3/20 0.44
SRD5A2 P31213 3/20 0.43
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GRM5 P41594 1/20 0.41
SLC2A1 P11166 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL4245359 0.87 SMN1; SMN2 (0.45) GPR119SRD5A2MEN1KMT2AGRM5
SCHEMBL14205836 0.86 GPR119 (0.44) ALDH1A1MAPTGPR119HTTMEN1
SCHEMBL20971857 0.86 GRM5 (0.45) EPHX2GPR119SRD5A2MEN1KMT2A
SCHEMBL15537145 0.85 CYP3A4 (0.50) STSSRD5A2MEN1KMT2AGRM5
SCHEMBL20971740 0.85 NR1H2 (0.55) KDM4EMAPTGPR119SRD5A2GRM5
SCHEMBL5204415 0.84 ALDH1A1 (0.46) ALDH1A1STSEPHX2KDM4EMAPT
SCHEMBL20971818 0.84 SRD5A2 (0.43) ALDH1A1GPR119SRD5A2GRM5ESR2
SCHEMBL20971831 0.83 SRD5A2 (0.42) ALDH1A1MAPTGPR119SRD5A2MEN1
SCHEMBL3577423 0.82 MAPT (0.46) ALDH1A1STSKDM4EMAPTHTT
SCHEMBL20971724 0.82 PDK2 (0.46) ALDH1A1MAPTGPR119SRD5A2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104725356-A Nitrogen heterocyclic derivatives and application thereof in medicine GUANGDONG HEC PHARMACEUTICAL 2015-06-24 CN disclosed
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 ALDH1A1 1181/4885STS 36/4885CPS1 746/4885

“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.