SCHEMBL1106459

SCHEMBL1106459

CC(C)n1cccc(CN)c1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
KMT2A Q03164 1/20 0.35
BPTF Q12830 1/20 0.33
KAT2B Q92831 1/20 0.33
PNMT P11086 2/20 0.32
TAAR1 Q96RJ0 2/20 0.31
DPP4 P27487 2/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL13848501 0.85 PTGS2 (0.45) PTGS2KMT2ATSHRSMN1; SMN2HSD17B10
SCHEMBL21659026 0.83 PTGS2 (0.44) PTGS2KMT2ATSHRSMN1; SMN2HSD17B10
SCHEMBL21658869 0.81 PTGS2 (0.46) PTGS2KMT2ATSHRSMN1; SMN2HSD17B10
SCHEMBL1106460 0.79 PTGS2 (0.41) PTGS2TSHR
SCHEMBL21476168 0.76 TAAR1 (0.42) PTGS2TAAR1
SCHEMBL21475999 0.75 ALDH1A1 (0.42) PTGS2KMT2A
SCHEMBL12641734 0.75 ALDH1A1 (0.38) KMT2ABPTFKAT2BPNMTDPP4
SCHEMBL15803906 0.75 PTGS2 (0.38) PTGS2KMT2ATSHRSMN1; SMN2
SCHEMBL23426316 0.74 PTGS2 (0.37) PTGS2
SCHEMBL21658781 0.74 KAT2B (0.43) PTGS2KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 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 (2 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PTGS2 1023/4885KMT2A 3673/4885BPTF 2353/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PTGS2 1023/4885KMT2A 3673/4885BPTF 2353/4885

“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.