SCHEMBL5216844

SCHEMBL5216844

Cc1ccc2c(OCCBr)c(F)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.44
HTR1A P08908 4/20 0.40
HTR1D P28221 4/20 0.40
HTR1B P28222 4/20 0.40
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
S1PR4 O95977 3/20 0.32
KDM4E B2RXH2 3/20 0.32
HTT P42858 2/20 0.32
PKM P14618 1/20 0.32
EGFR P00533 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL5216612 0.78 POLB (0.44) NCF1HTR1AHTR1DHTR1BALDH1A1
SCHEMBL5341791 0.73 HTR1D (0.41) NCF1HTR1AHTR1DHTR1BS1PR4
SCHEMBL5206891 0.73 HTR1D (0.56) NCF1HTR1AHTR1DHTR1B
SCHEMBL2884751 0.71 ALDH1A1 (0.41) ALDH1A1KDM4ECYP1A2
SCHEMBL31556360 0.71 ALDH1A1 (0.41) ALDH1A1KDM4ECYP1A2
SCHEMBL9248212 0.70 ALDH1A1 (0.43) ALDH1A1KDM4ECYP1A2
SCHEMBL4058945 0.70 ALDH1A1 (0.43) NCF1ALDH1A1KDM4ECYP1A2
SCHEMBL5348697 0.70 S1PR4 (0.46) NCF1HTR1AHTR1DHTR1BS1PR4
SCHEMBL5218695 0.69 S1PR4 (0.36) HTR1AHTR1DHTR1BS1PR4KDM4E
SCHEMBL2127198 0.67 S1PR4 (0.57) ALDH1A1S1PR4KDM4EHTT

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 NCF1 839/4885HTR1A 307/4885HTR1D 183/4885

“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.