SCHEMBL5226957

SCHEMBL5226957

CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])c(NC(=O)OCC2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.46
CYP17A1 P05093 1/20 0.38
MAPT P10636 5/20 0.38
MAPK1 P28482 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ACHE P22303 1/20 0.36
SPHK1 Q9NYA1 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
ALDH1A1 P00352 5/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCHE P06276 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL5309789 0.93 F10 (0.46) F10CYP17A1MAPTMAPK1MEN1
SCHEMBL5228290 0.83 F10 (0.38) F10MAPTMAPK1SMN1; SMN2MEN1
SCHEMBL5317720 0.82 F10 (0.43) F10CYP17A1MAPTMAPK1SMN1; SMN2
SCHEMBL5221853 0.81 MAPK1 (0.46) F10MAPK1MEN1KMT2AACHE
SCHEMBL5224843 0.79 F10 (0.44) F10HDAC3HDAC1HDAC2
SCHEMBL7244080 0.79 F10 (0.44) F10HDAC3HDAC1HDAC2
SCHEMBL7368015 0.75 MAPT (0.38) F10MAPTALDH1A1RAB9A
SCHEMBL6169098 0.75 F10 (0.39) F10MAPTMEN1KMT2AALDH1A1
SCHEMBL5226962 0.72 CYP17A1 (0.36) CYP17A1MAPTMEN1KMT2AALDH1A1
SCHEMBL25315369 0.72 MAPT (0.64) MAPTMAPK1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US disclosed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 US disclosed
US-6313122-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 US disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 F10 12/4885CYP17A1 556/4885MAPT 4291/4885

“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.