SCHEMBL7054411

SCHEMBL7054411

Cc1ccc(Oc2cnccc2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD4 Q15561 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTGS1 P23219 8/20 0.43
PTGS2 P35354 8/20 0.43
ICAM1 P05362 1/20 0.42
SELE P16581 1/20 0.42
VCAM1 P19320 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 2/20 0.41
SCN5A Q14524 2/20 0.41
SCN9A Q15858 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL9853810 0.86 PTGS1 (0.54) ALDH1A1MAPTTDP1PTGS1PTGS2
SCHEMBL4370948 0.82 PTGS1 (0.52) ALDH1A1MAPTPTGS1PTGS2ICAM1
SCHEMBL4370679 0.82 PTGS1 (0.52) MAPTPTGS1PTGS2ICAM1SELE
SCHEMBL4374807 0.81 PTGS1 (0.50) ALDH1A1PTGS1PTGS2ICAM1SELE
SCHEMBL9853800 0.81 MAPT (0.50) ALDH1A1POLBMAPTTDP1PTGS1
Hydrochloric Acid SCHEMBL9853816 0.80 PTGS1 (0.49) ALDH1A1PTGS1PTGS2ICAM1SELE
SCHEMBL7053710 0.79 TEAD4 (0.47) TEAD4ALDH1A1POLBMAPTTDP1
SCHEMBL1282569 0.79 GAA (0.38) ALDH1A1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL12386877 0.75 PTGS1 (0.46) TEAD4ALDH1A1POLBMAPTTDP1
SCHEMBL8236780 0.75 PTGS1 (0.46) ALDH1A1POLBMAPTTDP1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds STEWART ANDREW O (US) 2003-11-27 US disclosed
US-6579882-B2 Thieno(2,3-d)pyrimidine derivatives ABBOTT LABORATORIES 2003-06-17 US disclosed
US-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ABBVIE INC. 2001-09-06 US disclosed
US-6232320-B1 THIENO(2,3-C)PYRIDINE AND 5H-THIENO(2,3-C)PYRAN DERIATIVES ABBOTT LABORATORIES 2001-05-15 US disclosed
EP-1090009-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2001-04-11 EP disclosed
WO-1999062908-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 1999-12-09 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-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM TEAD4 1147/4885ALDH1A1 153/4885POLB 4499/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM TEAD4 1147/4885ALDH1A1 153/4885POLB 4499/4885

“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.