SCHEMBL4675455

SCHEMBL4675455

CS(=O)(=O)Nc1cccc(CN2C(=O)COc3c(N4CCNCC4)cccc32)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.69
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42
KCNH2 Q12809 1/20 0.42
NTRK1 P04629 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL4678986 0.84 HTR6 (0.68) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL1136491 0.82 HTR6 (1.00) HTR6HTR1ADRD2HTR2A
SCHEMBL4674680 0.82 HTR6 (0.78) HTR6HTR1ADRD2DRD3NMT1
SCHEMBL4673532 0.82 HTR6 (0.78) HTR6HTR1ADRD2HTR1DHTR1B
Hydrochloric Acid SCHEMBL4678621 0.81 HTR6 (0.98) HTR6HTR1ADRD2HTR2A
SCHEMBL4677556 0.81 HTR6 (0.73) HTR6HTR1ADRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL4677722 0.81 HTR6 (0.76) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL4675482 0.80 HTR6 (0.74) HTR6HTR1ADRD2DRD3NMT1
SCHEMBL8553180 0.79 L3MBTL1 (0.55) BRD4
SCHEMBL4675866 0.78 HTR6 (0.72) HTR6HTR1ADRD2HTR7LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562918-B1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed
US-7141562-B2 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC (US) 2006-11-28 US claimed
EP-1562918-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-08-17 EP claimed
WO-2004041792-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO claimed
US-20040092512-A1 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC 2004-05-13 US claimed
EP-1562918-B1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
EP-1562918-B1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
US-7141562-B2 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC (US) 2006-11-28 US disclosed
EP-1562918-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-08-17 EP disclosed
WO-2004041792-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO disclosed
US-20040092512-A1 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC 2004-05-13 US 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-20040092512-A1 Substituted benzoxazinones and uses thereof CYP4X1, CYP3A5, CYP2D6 HTR6 399/4885HTR1A 986/4885DRD2 1395/4885

“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.