SCHEMBL5213745

SCHEMBL5213745

Cc1ncc2c(O)cccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
ACHE P22303 1/20 0.42
KDM4E B2RXH2 6/20 0.41
MAPKAPK2 P49137 1/20 0.40
CYP1A2 P05177 3/20 0.40
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 3/20 0.36
METAP2 P50579 1/20 0.36
STAT3 P40763 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 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
SCHEMBL8404379 0.80 CYP1A2 (0.42) KDM4ECYP1A2ALDH1A1KMT2AHPGD
SCHEMBL2882632 0.77 LMNA (0.40) CYP1A2ALDH1A1KMT2ALMNAHTT
SCHEMBL27740452 0.77 CYP1A2 (0.47) IDO1TDO2ACHEKDM4EMAPKAPK2
SCHEMBL1261718 0.77 ALDH1A1 (0.47) ACHEKDM4ECYP1A2ALDH1A1KMT2A
SCHEMBL27790274 0.77 LMNA (0.36) CYP1A2ALDH1A1KMT2AMAPTRAB9A
SCHEMBL25380543 0.77 IDO1 (0.45) IDO1TDO2ACHEKDM4EMAPKAPK2
SCHEMBL8284885 0.77 KMT2A (0.50) CYP1A2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL5213685 0.74 EGFR (0.46) KDM4EALDH1A1MAPTRAB9AHPGD
SCHEMBL31391352 0.74 EGFR (0.46) KDM4EALDH1A1MAPTRAB9AHPGD
SCHEMBL21959294 0.74 TNF (0.46) CYP1A2MAPTNPSR1L3MBTL1HPGD

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
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
CN-1478092-A Benzoxazinone derivatives, their preparation and use ʷ 2004-02-25 CN 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 IDO1 1514/4885TDO2 760/4885ACHE 3728/4885

“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.