SCHEMBL1106607

SCHEMBL1106607

[C-]#[N+]c1ccc(-c2cncc(CNC(=O)c3ccc(Cl)s3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 2/20 0.44
SCN2A Q99250 3/20 0.43
SCN10A Q9Y5Y9 3/20 0.43
TSHR P16473 1/20 0.42
EGLN1 Q9GZT9 2/20 0.42
VEGFA P15692 1/20 0.42
EGLN3 Q9H6Z9 1/20 0.42
HDAC1 Q13547 4/20 0.39
MAPK1 P28482 1/20 0.39
KDM1A O60341 3/20 0.38
BACE1 P56817 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1158898 0.83 KDM1A (0.53) F10KDM4ELMNAHPGDSCN2A
SCHEMBL1096358 0.81 F10 (0.46) F10KDM4ELMNAHPGDSCN2A
SCHEMBL1096809 0.79 LMNA (0.42) F10KDM4ELMNAHPGDSCN2A
SCHEMBL1097008 0.78 F10 (0.44) F10KDM4ELMNAHPGDSCN2A
SCHEMBL1096929 0.78 F10 (0.44) F10KDM4ELMNAHPGDSCN2A
SCHEMBL1106589 0.77 F10 (0.53) F10KDM4ELMNAHPGDTSHR
SCHEMBL1106609 0.77 KDM4E (0.43) F10KDM4ELMNAHPGDTSHR
SCHEMBL1106579 0.77 HPGD (0.47) F10KDM4ELMNAHPGDTSHR
SCHEMBL1096071 0.77 F10 (0.43) F10KDM4ELMNAHPGDSCN2A
SCHEMBL1106614 0.77 F10 (0.53) F10KDM4ELMNAHPGDTSHR

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 F10 8/4885KDM4E 2875/4885LMNA 734/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 F10 8/4885KDM4E 2875/4885LMNA 734/4885

“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.