SCHEMBL5658486

SCHEMBL5658486

COc1ccc(CC(C)C(=O)NCC(=O)NCCc2c[nH]c3ccccc23)cc1C(=N)N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.57
MEN1 O00255 6/20 0.57
CYP3A4 P08684 2/20 0.57
MAPT P10636 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.47
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47

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
SCHEMBL5660295 0.89 MEN1 (0.58) KMT2AMEN1CYP3A4MAPTKDM4E
SCHEMBL5659163 0.87 KMT2A (0.58) KMT2AMEN1CYP3A4MAPTKDM4E
SCHEMBL5660460 0.85 KMT2A (0.65) KMT2AMEN1CYP3A4MAPTKDM4E
SCHEMBL5660699 0.79 MEN1 (0.58) KMT2AMEN1CYP3A4MAPTKDM4E
SCHEMBL5660862 0.79 MEN1 (0.55) KMT2AMEN1CYP3A4MAPTKDM4E
SCHEMBL5659324 0.79 KMT2A (0.63) KMT2AMEN1CYP3A4MAPTKDM4E
SCHEMBL5661106 0.76 MEN1 (0.54) KMT2AMEN1CYP3A4MAPTKDM4E
Hydrochloric Acid SCHEMBL6366426 0.74 MEN1 (0.52) KMT2AMEN1CYP3A4MAPTKDM4E
Hydrochloric Acid SCHEMBL6370935 0.74 MEN1 (0.53) KMT2AMEN1CYP3A4MAPTKDM4E
Hydrochloric Acid SCHEMBL6365461 0.74 MEN1 (0.51) KMT2AMEN1CYP3A4MAPTKDM4E

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 KMT2A 3724/4885MEN1 625/4885CYP3A4 1449/4885

“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.