SCHEMBL5443200

SCHEMBL5443200

COc1ccc(-c2nc(S)n(C)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
HPGD P15428 1/20 0.41
ADORA2A P29274 1/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
MAPT P10636 2/20 0.41
PTGS2 P35354 1/20 0.40
TEK Q02763 2/20 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
SCHEMBL10989518 0.80 ALDH1A1 (0.47) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL11057271 0.79 MEN1 (0.50) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL9725937 0.79 HPGD (0.50) ALDH1A1KDM4ENPSR1TDP1L3MBTL1
SCHEMBL7085313 0.78 MAPK14 (0.59) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL27881874 0.76 LMNA (0.59) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL9263043 0.72 ALDH1A1 (0.43) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL11178024 0.72 MLYCD (0.44) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL10966368 0.72 LMNA (0.50) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL11016914 0.72 KMT2A (0.43) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL21852751 0.71 ALDH1A1 (0.67) ALDH1A1KDM4ELMNANPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185169-A1 2-Mercapto-4,5-Diarylimidazole Derivatives and the use thereof as Cyclooxygenase Inhibitors BEIERSDORF, AG 2007-08-09 US disclosed
US-7223781-B2 2-mercapto-4,5-diarylimidazole derivatives and the use thereof as cyclooxygenase inhibitors BEIERSDORF AG (DE) 2007-05-29 US disclosed
US-20040116695-A1 2-Mercapto-4,5-diarylimidazole derivatives and the use thereof as cyclooxygenase inhibitors BEIERSDORF AG (DE) 2004-06-17 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-20070185169-A1 2-Mercapto-4,5-Diarylimidazole Derivatives and the use thereof as Cyclooxygenase Inhibitors PTGS2, PTGES2, DHFR ALDH1A1 67/4885KDM4E 520/4885LMNA 4883/4885

“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.