SCHEMBL1106531

SCHEMBL1106531

[C-]#[N+]c1ccc(-c2cc(CNC(=O)c3ccc(Cl)s3)on2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
HTT P42858 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
JAK2 O60674 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 4/20 0.47
HPGD P15428 4/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 3/20 0.43
KDM4E B2RXH2 1/20 0.42
NOTUM Q6P988 1/20 0.41
F10 P00742 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
EPHX2 P34913 1/20 0.38
MAPK1 P28482 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
SCHEMBL1096444 0.88 POLB (0.65) POLBHTTSMN1; SMN2ALDH1A1JAK2
SCHEMBL1096369 0.87 POLB (0.54) POLBHTTSMN1; SMN2ALDH1A1JAK2
SCHEMBL1096332 0.86 POLB (0.53) POLBHTTSMN1; SMN2ALDH1A1JAK2
SCHEMBL1098671 0.86 POLB (0.53) POLBHTTSMN1; SMN2ALDH1A1JAK2
SCHEMBL1101073 0.86 POLB (0.56) POLBHTTSMN1; SMN2ALDH1A1JAK2
SCHEMBL8277511 0.86 POLB (0.53) POLBHTTSMN1; SMN2ALDH1A1JAK2
SCHEMBL1095698 0.86 HPGD (0.53) POLBHTTSMN1; SMN2ALDH1A1JAK2
SCHEMBL1106543 0.85 HPGD (0.40) POLBHTTSMN1; SMN2ALDH1A1JAK2
SCHEMBL1096373 0.85 POLB (0.52) POLBHTTSMN1; SMN2ALDH1A1JAK2
SCHEMBL1096148 0.85 POLB (0.52) POLBHTTSMN1; SMN2ALDH1A1JAK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 POLB 3172/4885HTT 3109/4885SMN1; SMN2 4168/4885

“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.