SCHEMBL1158898

SCHEMBL1158898

N#Cc1ccc(-c2cncc(CNC(=O)c3ccc(Cl)s3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.53
HDAC1 Q13547 1/20 0.53
F10 P00742 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
XDH P47989 1/20 0.44
HPGD P15428 2/20 0.44
SCN10A Q9Y5Y9 2/20 0.43
SCN2A Q99250 1/20 0.43
EGLN1 Q9GZT9 3/20 0.43
FLT1 P17948 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.43
GSK3B P49841 1/20 0.42
TSHR P16473 1/20 0.42
KCNH2 Q12809 1/20 0.42
BACE1 P56817 1/20 0.40
EGLN2 Q96KS0 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39

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
SCHEMBL1106607 0.83 F10 (0.46) KDM1AHDAC1F10KDM4ELMNA
SCHEMBL1096358 0.81 F10 (0.46) KDM1AHDAC1F10KDM4ELMNA
SCHEMBL1096929 0.78 F10 (0.44) HDAC1F10KDM4ELMNAHPGD
SCHEMBL1097008 0.78 F10 (0.44) HDAC1F10KDM4ELMNAHPGD
SCHEMBL10282497 0.77 F10 (0.55) F10KDM4ELMNAHPGDTSHR
SCHEMBL8279834 0.77 KDM4E (0.43) HDAC1F10KDM4ELMNAHPGD
SCHEMBL1161135 0.77 HPGD (0.47) F10KDM4ELMNAHPGDTSHR
SCHEMBL1096071 0.77 F10 (0.43) F10KDM4ELMNAHPGDSCN10A
SCHEMBL1096809 0.77 LMNA (0.42) F10KDM4ELMNAHPGDSCN10A
SCHEMBL1106614 0.77 F10 (0.53) HDAC1F10KDM4ELMNAHPGD

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 6 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
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO 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 KDM1A 1882/4885HDAC1 471/4885F10 8/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 KDM1A 1882/4885HDAC1 471/4885F10 8/4885

“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.