SCHEMBL1106579

SCHEMBL1106579

[C-]#[N+]c1ccc(-c2cc(CNC(=O)c3ccc(Cl)s3)no2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
F10 P00742 4/20 0.42
TP53 P04637 2/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
KMT2A Q03164 2/20 0.40
NOTUM Q6P988 1/20 0.40
MAPK1 P28482 2/20 0.39
EPHX2 P34913 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL1106531 0.83 POLB (0.50) HPGDLMNAKDM4ETSHRF10
SCHEMBL1106589 0.83 F10 (0.53) HPGDLMNAKDM4ETSHRF10
SCHEMBL1161135 0.83 HPGD (0.47) HPGDLMNAKDM4ETSHRF10
SCHEMBL1106582 0.81 LMNA (0.51) HPGDLMNATSHRTP53KMT2A
SCHEMBL1097145 0.80 HPGD (0.45) HPGDLMNAKDM4ETSHRF10
SCHEMBL1095930 0.80 HPGD (0.43) HPGDLMNAKDM4ETSHRF10
SCHEMBL1106585 0.80 HPGD (0.46) HPGDLMNAKDM4ETSHRF10
SCHEMBL1096827 0.79 HPGD (0.46) HPGDLMNAKDM4ETSHRF10
SCHEMBL1097217 0.78 HPGD (0.45) HPGDLMNAKDM4ETSHRF10
SCHEMBL1106607 0.77 F10 (0.46) HPGDLMNAKDM4ETSHRF10

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

“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.