SCHEMBL1106598

SCHEMBL1106598

[C-]#[N+]c1ccc(-c2nc(C)oc2Br)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
PTGS2 P35354 6/20 0.33
PTGS1 P23219 3/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.31
KDM1A O60341 2/20 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
SCHEMBL16421086 0.80 TDP1 (0.41) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL31469380 0.77 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL5585925 0.75 ALDH1A1 (0.46) PTGS2KMT2AALDH1A1
SCHEMBL15278169 0.73 PTPN1 (0.48) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL10313040 0.73 GAA (0.41) ALDH1A1
SCHEMBL4311399 0.71 KMT2A (0.63) KMT2AALDH1A1
SCHEMBL16696518 0.70 NPSR1 (0.42)
SCHEMBL5215312 0.67 RAB9A (0.40) KMT2AALDH1A1
SCHEMBL18865626 0.66 KDM4E (0.40) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL1106604 0.66 ENPP3 (0.62) KMT2A

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 5 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-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-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

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 MAPK13 3357/4885MAPK12 3501/4885MAPK11 2319/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MAPK13 3357/4885MAPK12 3501/4885MAPK11 2319/4885

“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.