SCHEMBL6540512

SCHEMBL6540512

COc1ccc(-c2nc(C#N)oc2-c2ccc(OCCNC(N)=O)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.41
PPARD Q03181 1/20 0.39
MMP3 P08254 1/20 0.39
RCE1 Q9Y256 1/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
LRRK2 Q5S007 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
BRAF P15056 1/20 0.35
CD274 Q9NZQ7 1/20 0.34
ALK Q9UM73 1/20 0.34
KDM5A P29375 1/20 0.34
KDM5C P41229 1/20 0.34
KDM5B Q9UGL1 1/20 0.34

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
SCHEMBL6277754 0.92 PPARD (0.43) SCN9APPARDMMP3RCE1MTNR1A
SCHEMBL6539408 0.88 CA12 (0.43) PPARDMMP3RCE1LRRK2
SCHEMBL6540560 0.85 ATR (0.38) SCN9APPARDRCE1LRRK2TAAR1
SCHEMBL6540528 0.84 ALDH1A1 (0.38) SCN9APPARDRCE1LRRK2TAAR1
SCHEMBL6275255 0.84 LMNA (0.41) SCN9APPARDRCE1MTNR1AMTNR1B
SCHEMBL6538991 0.84 PPARD (0.39) PPARDRCE1MTNR1AMTNR1BTAAR1
SCHEMBL6234392 0.84 PPARD (0.41) SCN9APPARDRCE1MTNR1AMTNR1B
SCHEMBL6278231 0.84 RCE1 (0.40) PPARDRCE1MTNR1AMTNR1BTAAR1
SCHEMBL6207227 0.84 PPARD (0.44) SCN9APPARDRCE1MTNR1AMTNR1B
SCHEMBL6258240 0.83 PPARD (0.40) SCN9APPARDRCE1MTNR1AMTNR1B

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 SCN9A 1337/4885PPARD 1747/4885MMP3 450/4885

“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.