SCHEMBL5840689

SCHEMBL5840689

[NH]C(=O)NCCCCCc1nn[nH]n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
EPHX2 P34913 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
NAALAD2 Q9Y3Q0 2/20 0.46
CTH P32929 1/20 0.42
KDM6B O15054 1/20 0.41
KDM4A O75164 1/20 0.41
KDM5A P29375 1/20 0.41
PLA2G2C Q5R387 2/20 0.40
TBXAS1 P24557 2/20 0.40
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 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
SCHEMBL5841190 0.98 EPHX2 (0.56) L3MBTL1EPHX2CYP3A4CYP2D6CYP2C9
SCHEMBL5840981 0.87 NAALAD2 (0.50) L3MBTL1EPHX2CYP3A4CYP2D6CYP2C9
SCHEMBL5840696 0.84 L3MBTL1 (0.59) L3MBTL1EPHX2CYP3A4CYP2D6CYP2C9
SCHEMBL5841196 0.83 EPHX2 (0.56) L3MBTL1EPHX2CYP3A4CYP2D6CYP2C9
SCHEMBL30843332 0.73 L3MBTL1 (0.68) L3MBTL1EPHX2CYP3A4CYP2D6CYP2C9
SCHEMBL1285620 0.73 L3MBTL1 (0.68) L3MBTL1EPHX2CYP3A4CYP2D6CYP2C9
SCHEMBL4682596 0.72 L3MBTL1 (0.79) L3MBTL1EPHX2CYP3A4CYP2D6CYP2C9
SCHEMBL17024865 0.71 NAALAD2 (0.51) L3MBTL1EPHX2CYP3A4CYP2D6CYP2C9
SCHEMBL5840984 0.70 KDM6B (0.50) L3MBTL1EPHX2CYP3A4CYP2D6CYP2C9
SCHEMBL13780257 0.70 L3MBTL1 (0.62) L3MBTL1EPHX2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138530-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-11-21 US claimed
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 US claimed
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-15 US claimed
US-7138530-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-11-21 US disclosed
US-7109354-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 US disclosed
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-15 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-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R L3MBTL1 1285/4885EPHX2 1848/4885CYP3A4 1530/4885
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R L3MBTL1 1375/4885EPHX2 1777/4885CYP3A4 1112/4885

“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.