SCHEMBL4171704

SCHEMBL4171704

c1ccc(-c2ccc3c(N4CCNCC4)cccc3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.56
NCF1 P14598 5/20 0.56
HTR1A P08908 4/20 0.56
HTR7 P34969 3/20 0.56
HTR2A P28223 2/20 0.56
HTR5A P47898 2/20 0.56
HTR1D P28221 2/20 0.56
HTR1B P28222 2/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
MTOR P42345 1/20 0.56
HTR3A P46098 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SIGMAR1 Q99720 1/20 0.56

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
SCHEMBL2711261 0.84 KDM4E (0.74) HTR6NCF1HTR1AHTR7HTR2A
SCHEMBL4178083 0.80 KDM4E (0.49) NCF1HTR1AHTR1DHTR1BTSHR
SCHEMBL27656377 0.79 NCF1 (0.55) HTR6NCF1HTR1AHTR7HTR2A
SCHEMBL428165 0.79 NCF1 (0.69) HTR6NCF1HTR1AHTR7HTR2A
SCHEMBL5369315 0.76 NCF1 (0.53) HTR6NCF1HTR1AHTR7HTR2A
SCHEMBL429723 0.76 NCF1 (0.51) HTR6NCF1HTR1AHTR7HTR2A
SCHEMBL425929 0.76 ADRB2 (0.71) HTR6NCF1HTR1AHTR7HTR2A
SCHEMBL430944 0.76 NCF1 (0.51) HTR6NCF1HTR1AHTR7HTR2A
SCHEMBL430602 0.76 NCF1 (0.51) HTR6NCF1HTR1AHTR7HTR2A
SCHEMBL4176462 0.75 NCF1 (0.72) HTR6NCF1HTR1AHTR7HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED 2009-03-19 US disclosed
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders GLAXO GROUP LIMITED (GB) 2006-11-23 US disclosed
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 EP disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 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 (2 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-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders XDH, CYP4X1, PDHX HTR6 101/4885NCF1 3910/4885HTR1A 47/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX HTR6 406/4885NCF1 3681/4885HTR1A 476/4885

“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.