SCHEMBL7242555

SCHEMBL7242555

Nc1cccc(C(=O)c2ccc(I)cc2)c1NC(=O)OCC1CCN(c2ccncc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.39
HDAC3 O15379 4/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
BDKRB1 P46663 3/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL5224739 0.91 F10 (0.42) F10HDAC3HDAC1HDAC2BDKRB1
SCHEMBL5221648 0.91 F10 (0.42) F10BDKRB1
Hydrochloric Acid SCHEMBL7246104 0.91 HDAC1 (0.43) F10HDAC3HDAC1HDAC2BDKRB1
SCHEMBL5228009 0.90 F10 (0.43) F10HDAC3HDAC1HDAC2
SCHEMBL5224868 0.90 F10 (0.49) F10BDKRB1
SCHEMBL5223035 0.88 F10 (0.43) F10HDAC3HDAC1HDAC2BDKRB1
SCHEMBL5227734 0.88 F10 (0.40) F10HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL7250242 0.87 F10 (0.38) F10HDAC3HDAC1BDKRB1
Hydrochloric Acid SCHEMBL7875182 0.87 F10 (0.42) F10BDKRB1
Hydrochloric Acid SCHEMBL7246494 0.86 CHRM3 (0.40) F10HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 12/4885HDAC3 156/4885HDAC1 61/4885

“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.