SCHEMBL6538846

SCHEMBL6538846

COc1ccc(-c2nc(SC(C)C)oc2-c2ccc(OCCNC(N)=O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.39
PPARD Q03181 3/20 0.38
GAA P10253 1/20 0.38
PTGS2 P35354 1/20 0.37
CA12 O43570 2/20 0.37
CA4 P22748 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
IKBKB O14920 1/20 0.36

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
SCHEMBL6538739 0.89 KMT2A (0.47) KMT2ALMNAALDH1A1HPGDKDM4E
SCHEMBL6254853 0.87 ALDH1A1 (0.50) KMT2ALMNAALDH1A1HPGDKDM4E
SCHEMBL6231402 0.85 MTNR1A (0.45) KMT2ALMNAALDH1A1HPGDKDM4E
SCHEMBL6539756 0.84 MTNR1A (0.44) KMT2ALMNAALDH1A1HPGDKDM4E
SCHEMBL6539856 0.84 MTNR1A (0.48) KMT2ALMNAALDH1A1HPGDKDM4E
SCHEMBL6540658 0.83 MEN1 (0.46) KMT2ALMNAALDH1A1HPGDKDM4E
SCHEMBL6539608 0.83 MTNR1A (0.43) KMT2ALMNAALDH1A1HPGDKDM4E
SCHEMBL6540430 0.82 MTNR1A (0.44) KMT2ALMNAALDH1A1HPGDKDM4E
SCHEMBL6538927 0.82 MTNR1A (0.44) KMT2ALMNAALDH1A1HPGDKDM4E
SCHEMBL6252437 0.82 MTNR1A (0.42) KMT2ALMNAALDH1A1HPGDKDM4E

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-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 KMT2A 3081/4885LMNA 2620/4885ALDH1A1 163/4885

“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.