SCHEMBL6538739

SCHEMBL6538739

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.40
PPARD Q03181 4/20 0.40
POLB P06746 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGS2 P35354 1/20 0.39
IKBKB O14920 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL6277993 0.91 KMT2A (0.50) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL6254853 0.90 ALDH1A1 (0.50) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL6275255 0.89 LMNA (0.41) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL6538846 0.89 KMT2A (0.45) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL6539856 0.86 MTNR1A (0.48) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL6540658 0.86 MEN1 (0.46) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL6539412 0.84 MTNR1A (0.45) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL6538996 0.84 MTNR1A (0.48) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL6231402 0.84 MTNR1A (0.45) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL6269691 0.84 PPARD (0.41) KMT2AALDH1A1LMNAKDM4EMEN1

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 3081/4885ALDH1A1 163/4885LMNA 2620/4885

“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.