SCHEMBL1106609

SCHEMBL1106609

[C-]#[N+]c1ccc(-c2ccc(F)c(CNC(=O)c3ccc(Cl)s3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 1/20 0.43
F10 P00742 7/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPK1 P28482 1/20 0.39
ACLY P53396 2/20 0.37
EGLN1 Q9GZT9 2/20 0.36
VEGFA P15692 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
ALDH2 P05091 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL8279834 0.83 KDM4E (0.43) KDM4ELMNAHPGDTSHRF10
SCHEMBL1097544 0.80 MAPK1 (0.45) KDM4ELMNAHPGDTSHRF10
SCHEMBL1096088 0.78 F10 (0.42) KDM4ELMNAHPGDF10
SCHEMBL1106615 0.78 KDM4E (0.49) KDM4ELMNAHPGDTSHRF10
SCHEMBL8279838 0.78 KDM4E (0.49) KDM4ELMNAHPGDTSHRF10
SCHEMBL1097371 0.78 KDM4E (0.41) KDM4ELMNAHPGDF10EPHX2
SCHEMBL1106607 0.77 F10 (0.46) KDM4ELMNAHPGDTSHRF10
SCHEMBL1106579 0.76 HPGD (0.47) KDM4ELMNAHPGDTSHRF10
SCHEMBL1106582 0.74 LMNA (0.51) LMNAHPGDTSHRHDAC1MAPK1
SCHEMBL1106531 0.74 POLB (0.50) KDM4ELMNAHPGDTSHRF10

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 KDM4E 2875/4885LMNA 734/4885HPGD 316/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 KDM4E 2875/4885LMNA 734/4885HPGD 316/4885

“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.