SCHEMBL6542011

SCHEMBL6542011

COc1ccc(C(=O)Nc2c(N)cccc2C(=O)c2ccc(F)c(Br)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
ALDH1A1 P00352 2/20 0.46
RAF1 P04049 1/20 0.45
ARAF P10398 1/20 0.45
BRAF P15056 1/20 0.45
EPHA2 P29317 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45

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
SCHEMBL6541760 0.85 HDAC1 (0.48) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5226432 0.84 HDAC1 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL7244781 0.83 CYP2C9 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL7246022 0.81 HDAC1 (0.59) HDAC1HDAC3HDAC4HDAC7HDAC2
Hydrochloric Acid SCHEMBL6541779 0.80 HDAC1 (0.49) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5222203 0.79 MAPT (0.54) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5224939 0.79 HDAC2 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL7053464 0.79 HDAC1 (0.48) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6541245 0.79 MAPK14 (0.48) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6541625 0.79 HDAC1 (0.48) HDAC1HDAC3HDAC4HDAC7HDAC2

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-1007037-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-10-06 EP disclosed
US-6677369-B2 CARBOXIMIDAMIDE DERIVATIVE ANTICOAGULANTS INHIBIT FACTOR XA ELI LILLY AND COMPANY 2004-01-13 US disclosed
US-20030195223-A1 An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates BEIGHT DOUGLAS WADE (US) 2003-10-16 US disclosed
US-6417200-B1 BLOOD COAGULATION FACTOR XA IN MAMMALS ELI LILLY AND COMPANY 2002-07-09 US disclosed
EP-1007037-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-06-14 EP disclosed
WO-1999000127-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-20030195223-A1 An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates F12, F11, F2 HDAC1 188/4885HDAC3 498/4885HDAC4 1354/4885

“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.