SCHEMBL6502828

SCHEMBL6502828

COc1ccc(C(=O)Nc2ccc(-c3ccc(CO)cc3)cc2)cc1CCCN(C)C

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 6/20 0.78
HTR1B P28222 6/20 0.78
CYP3A4 P08684 3/20 0.58
HTR1A P08908 2/20 0.58
MAPT P10636 2/20 0.58
CYP2C19 P33261 2/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
ALOX15 P16050 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HTR2A P28223 1/20 0.56
MCHR1 Q99705 4/20 0.51
ROCK2 O75116 3/20 0.51
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
PLAU P00749 1/20 0.46

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
Maleic Acid SCHEMBL6488726 0.94 HTR1D (0.70) HTR1DHTR1BCYP3A4HTR1AMAPT
Fumaric Acid SCHEMBL6488737 0.94 HTR1D (0.70) HTR1DHTR1BCYP3A4HTR1AMAPT
SCHEMBL6489170 0.92 HTR1D (0.78) HTR1DHTR1BCYP3A4HTR1AMAPT
SCHEMBL6497266 0.91 HTR1D (0.68) HTR1DHTR1BCYP3A4HTR1AMAPT
SCHEMBL6492135 0.90 HTR1D (0.67) HTR1DHTR1BCYP3A4HTR1AMAPT
SCHEMBL6488322 0.90 HTR1D (0.81) HTR1DHTR1BCYP3A4HTR1AMAPT
SCHEMBL6487377 0.90 HTR1D (0.81) HTR1DHTR1BCYP3A4HTR1AMAPT
SCHEMBL6488427 0.90 HTR1D (0.81) HTR1DHTR1BCYP3A4HTR1AMAPT
SCHEMBL6498408 0.90 HTR1D (0.81) HTR1DHTR1BCYP3A4HTR1AMAPT
SCHEMBL6488685 0.90 HTR1D (0.81) HTR1DHTR1BCYP3A4HTR1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-03-24 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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors MAPK3, MAPK1, MAPKAPK3 HTR1D 1697/4885HTR1B 1495/4885CYP3A4 697/4885

“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.