SCHEMBL6540560

SCHEMBL6540560

COc1ccc(-c2nc(C#N)oc2-c2ccc(OCCN)cc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.38
PPARD Q03181 1/20 0.38
SCN9A Q15858 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MGAT2 Q10469 3/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
RCE1 Q9Y256 1/20 0.35
KIT P10721 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL6207843 0.88 MEN1 (0.45) ATRPPARDMEN1KMT2ATAAR1
SCHEMBL6540512 0.85 SCN9A (0.41) PPARDSCN9ATAAR1PIK3CARCE1
SCHEMBL6277754 0.83 PPARD (0.43) PPARDSCN9AMEN1KMT2ATAAR1
SCHEMBL6540528 0.83 ALDH1A1 (0.38) PPARDSCN9AMEN1KMT2ATAAR1
SCHEMBL6325951 0.82 PPARD (0.38) ATRPPARDMEN1KMT2ATAAR1
SCHEMBL6539388 0.82 PPARD (0.38) ATRPPARDMEN1KMT2ATAAR1
SCHEMBL6234081 0.81 PPARD (0.39) ATRPPARDMEN1KMT2ATAAR1
SCHEMBL6539657 0.81 PPARD (0.43) ATRPPARDMEN1KMT2ATAAR1
Hydrochloric Acid SCHEMBL6538837 0.80 PPARD (0.42) ATRPPARDMEN1KMT2ATAAR1
SCHEMBL6538764 0.80 PPARD (0.39) ATRPPARDMEN1KMT2ATAAR1

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 ATR 4740/4885PPARD 1747/4885SCN9A 1337/4885

“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.