SCHEMBL5659833

SCHEMBL5659833

N=C(N)c1cccc(OCC(=O)NCC(=O)NCCc2c[nH]c3ccccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
GAA P10253 1/20 0.60
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
HTR1A P08908 2/20 0.50
HTR1D P28221 2/20 0.50
HTR1B P28222 2/20 0.50
GSK3B P49841 2/20 0.50
FAAH O00519 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
AANAT Q16613 1/20 0.50
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49

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
SCHEMBL5661106 0.85 MEN1 (0.54) MAPTGAAKMT2AMEN1FAAH
Hydrochloric Acid SCHEMBL6366509 0.83 MEN1 (0.56) MAPTKMT2AMEN1GSK3BLMNA
SCHEMBL5662044 0.83 MEN1 (0.56) MAPTKMT2AMEN1GSK3BLMNA
SCHEMBL28045702 0.81 MAPT (0.83) MAPTGAAKMT2AMEN1FAAH
SCHEMBL5660460 0.79 KMT2A (0.65) MAPTKMT2AMEN1GSK3BLMNA
Hydrochloric Acid SCHEMBL6370935 0.77 MEN1 (0.53) MAPTKMT2AMEN1GSK3BLMNA
Hydrochloric Acid SCHEMBL6365223 0.77 KMT2A (0.54) KMT2AMEN1GSK3BLMNAAANAT
Hydrochloric Acid SCHEMBL6365263 0.77 MEN1 (0.50) MAPTKMT2AMEN1GSK3BLMNA
Hydrochloric Acid SCHEMBL6365463 0.76 MEN1 (0.51) MAPTKMT2AMEN1GSK3BLMNA
Hydrochloric Acid SCHEMBL6364921 0.76 MEN1 (0.46) MAPTGAAKMT2AMEN1GSK3B

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-7256194-B2 Prevent thrombosis; anticholesterol agents; cardiovascular disorders; anticancer agents MORPHOCHEM (DE) 2007-08-14 US disclosed
EP-1370526-B1 DIAMIDES WHICH INHIBIT TRYPTASE AND FACTOR XA ACTIVITY MORPHOCHEM AG KOMB CHEMIE (DE) 2006-05-24 EP disclosed
US-20040082547-A1 Novel compounds that inhibit factor xa activity MORPHOCHEM (DE) 2004-04-29 US disclosed
EP-1370526-A1 DIAMIDES WHICH INHIBIT TRYPTASE AND FACTOR XA ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2003-12-17 EP disclosed
WO-2002068390-A1 DIAMIDES WHICH INHIBIT TRYPTASE AND FACTOR XA ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2002-09-06 WO 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-20040082547-A1 Novel compounds that inhibit factor xa activity F11, TFPI, SERPINC1 MAPT 4190/4885GAA 508/4885KMT2A 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.