SCHEMBL5568169

SCHEMBL5568169

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
F2 P00734 2/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.38
TMPRSS6 Q8IU80 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL5567716 0.92 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL5568148 0.91 PLAU (0.48) ALDH1A1SMN1; SMN2HPGDLMNAKMT2A
SCHEMBL5567456 0.91 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1F2
SCHEMBL5565590 0.88 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HPGDLMNAKMT2A
SCHEMBL5568637 0.87 MAPT (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1F2
SCHEMBL5563126 0.87 NOTUM (0.48) ALDH1A1SMN1; SMN2HPGDLMNARAB9A
SCHEMBL5563884 0.86 KDM4E (0.40) ALDH1A1SMN1; SMN2HPGDLMNANPC1
SCHEMBL5563505 0.85 UBE2N (0.45) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL5565420 0.85 KDM4E (0.41) ALDH1A1SMN1; SMN2HPGDLMNAKMT2A
SCHEMBL5568085 0.82 NPC1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A

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 4 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
EP-1628947-A2 3,4-DISUBSTITUTED BENZAMIDINES AND BENZYLAMINES, AND ANALOGUES THEREOF, USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-03-01 EP 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
WO-2004110374-A2 3,4-DISUBSTITUTED BENZAMIDINES AND BENZYLAMINES, AND ANALOGUES THEREOF, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-23 WO 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 2712/4885HPGD 3724/4885

“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.