SCHEMBL6774678

SCHEMBL6774678

COc1ccccc1N1CCN(C(=O)CNC(=O)C(Nc2cccc(C(=N)N)c2)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
SOAT1 P35610 2/20 0.39
HSD17B10 Q99714 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PAX8 Q06710 1/20 0.38
MC4R P32245 2/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 1/20 0.38
KDM4E B2RXH2 1/20 0.38
F2 P00734 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL6780268 0.87 F10 (0.46) MAPTMEN1KMT2ATSHRHTT
SCHEMBL6779135 0.87 TSHR (0.44) MAPTMEN1KMT2ATSHRLMNA
SCHEMBL6779185 0.83 MEN1 (0.47) MAPTMEN1KMT2ATSHRLMNA
SCHEMBL6779801 0.83 F10 (0.43) MAPTMEN1KMT2ATSHRHTT
SCHEMBL6780280 0.82 LMNA (0.47) MAPTMEN1KMT2ATSHRHTT
SCHEMBL6778302 0.82 POLB (0.45) NPC1MAPTMEN1KMT2AHTT
SCHEMBL6777979 0.81 KDM4E (0.44) MAPTMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL6777481 0.81 ITGB3 (0.41) NPC1MAPTMEN1KMT2AHTT
SCHEMBL6779349 0.79 TSHR (0.48) MAPTMEN1KMT2ATSHRLMNA
Hydrochloric Acid SCHEMBL6366397 0.79 TSHR (0.48) MAPTMEN1KMT2ATSHRLMNA

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 2 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

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 NPC1 1345/4885MAPT 4523/4885MEN1 592/4885

“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.