SCHEMBL5222235

SCHEMBL5222235

COc1ccc(C(=O)Nc2ccccc2CC(=O)NCC2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.68
MAPT P10636 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
GAA P10253 2/20 0.51
MAPK1 P28482 1/20 0.51
ATM Q13315 1/20 0.51
DRD1 P21728 1/20 0.49
HRH2 P25021 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
KCNH2 Q12809 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MCL1 Q07820 1/20 0.47
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL7244704 0.89 F10 (0.52) F10KDM4E
SCHEMBL7256979 0.79 F10 (0.73) F10MAPTGAAALDH1A1MCL1
SCHEMBL5226419 0.77 F10 (0.62) F10MAPTGAAALDH1A1MCL1
SCHEMBL5224676 0.76 HDAC3 (0.48) F10
SCHEMBL7371754 0.75 F10 (0.55) F10KDM4E
SCHEMBL7091228 0.74 F10 (0.54) F10MAPTGAAKDM4EALDH1A1
SCHEMBL5222242 0.73 F10 (0.57) F10MAPTTDP1GAAKDM4E
Trifluoroacetic Acid SCHEMBL5868319 0.73 F10 (0.53) F10MAPTTDP1KDM4EALDH1A1
SCHEMBL5224604 0.73 BDKRB1 (0.48) F10ALDH1A1BDKRB1
SCHEMBL5263815 0.71 F10 (0.55) F10MAPTGAAALDH1A1HPGD

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 12/4885MAPT 4291/4885TDP1 2223/4885

“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.