SCHEMBL5216668

SCHEMBL5216668

COc1cccc2c1ccn2N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.55
HTR6 P50406 2/20 0.50
FABP4 P15090 2/20 0.43
RHEB Q15382 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
PRMT5 O14744 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
IDO1 P14902 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
DAO P14920 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL347727 0.78 RHEB (0.62) HTR2CHTR6FABP4RHEBCA12
SCHEMBL29989576 0.78 RHEB (0.62) HTR2CHTR6FABP4RHEBCA12
SCHEMBL27773935 0.78 MAPK1 (0.41) HTR2CHTR6FABP4ALDH1A1PTGS1
SCHEMBL28682498 0.77 HTR2C (0.51) HTR2CHTR6FABP4RHEBCA12
SCHEMBL22810542 0.77 HTR2C (0.51) HTR2CHTR6FABP4RHEBCA12
SCHEMBL13228252 0.74 HTR2C (0.65) HTR2CHTR6FABP4PRMT5ALDH1A1
SCHEMBL15189078 0.74 HTR2C (0.36) HTR2CHTR6CA12CA1CA2
SCHEMBL6625102 0.74 HTR2C (0.49) HTR2CHTR6FABP4RHEBCA12
SCHEMBL13209348 0.74 HTR2C (0.49) HTR2CHTR6FABP4RHEBCA12
SCHEMBL4071478 0.74 HTR2A (0.51) HTR2CFABP4CA1CA2CA7

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 HTR2C 137/4885HTR6 52/4885FABP4 3520/4885

“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.