SCHEMBL6777979

SCHEMBL6777979

COc1ccccc1N1CCN(C(=O)CNC(=O)C(Nc2cccc(C(=N)N)c2)c2ccccc2O)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
F2 P00734 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
DRD3 P35462 3/20 0.41
MEN1 O00255 2/20 0.40
HTR1A P08908 2/20 0.40
THRB P10828 2/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR7 P34969 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL6779349 0.90 TSHR (0.48) KDM4EF2TSHRRAB9AKMT2A
SCHEMBL6780268 0.90 F10 (0.46) KDM4EF2TSHRRAB9AKMT2A
SCHEMBL6779185 0.87 MEN1 (0.47) KDM4EF2TSHRRAB9AKMT2A
SCHEMBL6779801 0.87 F10 (0.43) KDM4EF2TSHRRAB9AKMT2A
SCHEMBL6774635 0.86 RAB9A (0.48) F2TSHRRAB9AKMT2AMAPT
Hydrochloric Acid SCHEMBL6366397 0.85 TSHR (0.48) KDM4EF2TSHRRAB9AKMT2A
SCHEMBL6780280 0.84 LMNA (0.47) KDM4EF2TSHRRAB9AKMT2A
SCHEMBL6778829 0.84 ADRA1D (0.43) TSHRKMT2AGAADRD2DRD4
SCHEMBL6779135 0.84 TSHR (0.44) KDM4EF2TSHRKMT2AMAPT
SCHEMBL16436970 0.84 TSHR (0.38) KDM4EF2TSHRRAB9AKMT2A

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-6794507-B2 Compounds that inhibit factor Xa activity MORPHOCHEM AG (DE) 2004-09-21 US disclosed
US-20030153510-A1 Novel compounds inhibiting factor xa activity CAPPI MICHAEL W (DE) 2003-08-14 US disclosed
EP-1311473-A2 NOVEL COMPOUNDS INHIBITING FACTOR XA ACTIVITY Morphochem AG (DE) 2003-05-21 EP disclosed
WO-2002016312-A2 NOVEL COMPOUNDS INHIBITING FACTOR XA ACTIVITY MORPHOCHEM AG (DE) 2002-02-28 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-20030153510-A1 Novel compounds inhibiting factor xa activity SERPINC1, F11, TFPI KDM4E 3786/4885F2 7/4885TSHR 3085/4885

“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.