SCHEMBL5223570

SCHEMBL5223570

COc1ccc(C(=O)Nc2ccccc2N2C(=O)c3ccc(C(C)(C)C)cc3C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
GAA P10253 1/20 0.56
F10 P00742 1/20 0.53
MEN1 O00255 5/20 0.53
CA1 P00915 3/20 0.52
CA9 Q16790 3/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
CA12 O43570 2/20 0.48

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
SCHEMBL7242995 0.87 KMT2A (0.58) KMT2AGAAF10MEN1CA1
SCHEMBL7244555 0.87 F10 (0.60) KMT2AGAAF10MEN1CA1
SCHEMBL7868603 0.86 KMT2A (0.57) KMT2AGAAF10MEN1CA1
SCHEMBL7245488 0.83 KMT2A (0.59) KMT2AGAAF10MEN1CA1
SCHEMBL7251629 0.77 MAPT (0.56) KMT2AGAAF10MEN1CA1
SCHEMBL7250674 0.75 ACHE (0.48) KMT2AGAAF10MEN1CA1
SCHEMBL7244560 0.72 KMT2A (0.57) KMT2AGAAF10HDAC3HDAC4
SCHEMBL5221860 0.71 F10 (0.83) KMT2AGAAF10MEN1NPC1
SCHEMBL5226270 0.70 F10 (0.62) KMT2AF10MEN1CA1HDAC3
SCHEMBL5223218 0.70 NR1H4 (0.73) KMT2AF10MEN1ABCG2NPC1

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 KMT2A 2083/4885GAA 77/4885F10 12/4885

“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.