SCHEMBL5567716

SCHEMBL5567716

COc1cc(C(=O)NCc2ccc(C(=N)N)cc2N(C)CC(=O)Nc2cccc(C)c2)cc(OC)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
PDE5A O76074 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
F2 P00734 2/20 0.39
TMPRSS6 Q8IU80 1/20 0.39
PLAU P00749 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL5568148 0.93 PLAU (0.48) ALDH1A1SMN1; SMN2MAPTF2PLAU
SCHEMBL5568169 0.92 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTF2TMPRSS6
SCHEMBL5565590 0.91 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTF2TMPRSS6
SCHEMBL5568637 0.88 MAPT (0.42) ALDH1A1SMN1; SMN2MAPTF2PLAU
SCHEMBL5563126 0.88 NOTUM (0.48) ALDH1A1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL5567456 0.88 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2F2TMPRSS6MEN1
SCHEMBL5563505 0.87 UBE2N (0.45) ALDH1A1SMN1; SMN2MAPTF2MEN1
SCHEMBL5565420 0.86 KDM4E (0.41) ALDH1A1SMN1; SMN2MAPTTHRBF2
SCHEMBL5563884 0.85 KDM4E (0.40) ALDH1A1SMN1; SMN2MAPTF2MEN1
SCHEMBL5568085 0.84 NPC1 (0.42) ALDH1A1SMN1; SMN2MAPTF2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247654-B2 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-24 US claimed
US-20050009895-A1 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-01-13 US claimed

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-20050009895-A1 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors TFPI, HABP2, TFPI2 ALDH1A1 3998/4885SMN1; SMN2 2712/4885MAPT 4008/4885

“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.