SCHEMBL6496879

SCHEMBL6496879

COc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)O)cc3C)cc2)cc1CCCN(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 9/20 0.69
HTR1B P28222 8/20 0.69
HTR2A P28223 4/20 0.66
CYP3A4 P08684 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
MAPT P10636 2/20 0.52
ALOX15 P16050 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
HTR1A P08908 2/20 0.52
CYP2C19 P33261 2/20 0.52
MCHR1 Q99705 4/20 0.51
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL6488819 0.93 HTR1D (0.69) HTR1DHTR1BHTR2ACYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL6486379 0.91 HTR1D (0.69) HTR1DHTR1BHTR2ACYP3A4ALDH1A1
SCHEMBL6497266 0.90 HTR1D (0.68) HTR1DHTR1BHTR2ACYP3A4ALDH1A1
SCHEMBL6531432 0.89 HTR1D (0.65) HTR1DHTR1BHTR2ACYP3A4ALDH1A1
SCHEMBL6502023 0.89 HTR1D (0.65) HTR1DHTR1BHTR2ACYP3A4ALDH1A1
SCHEMBL6498021 0.89 HTR1D (0.81) HTR1DHTR1BHTR2ACYP3A4ALDH1A1
SCHEMBL6495150 0.89 HTR1D (0.68) HTR1DHTR1BHTR2ACYP3A4ALDH1A1
SCHEMBL6498634 0.88 HTR1D (0.66) HTR1DHTR1BHTR2ACYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL6494904 0.88 HTR1D (0.67) HTR1DHTR1BHTR2ACYP3A4ALDH1A1
SCHEMBL6489358 0.88 HTR1D (0.65) HTR1DHTR1BHTR2ACYP3A4ALDH1A1

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 1495/4885HTR2A 2476/4885

“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.