SCHEMBL5226494

SCHEMBL5226494

COc1ccc(C(=O)Nc2ccc(O[Si](C)(C)C(C)(C)C)cc2N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.57
HDAC2 Q92769 5/20 0.57
HDAC3 O15379 4/20 0.57
HDAC4 P56524 4/20 0.57
HDAC7 Q8WUI4 4/20 0.57
HDAC10 Q969S8 4/20 0.57
HDAC11 Q96DB2 4/20 0.57
HDAC8 Q9BY41 4/20 0.57
HDAC6 Q9UBN7 4/20 0.57
HDAC9 Q9UKV0 4/20 0.57
HDAC5 Q9UQL6 4/20 0.57
F10 P00742 2/20 0.54
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
GAA P10253 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 4/20 0.50
ALDH1A1 P00352 2/20 0.50

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
SCHEMBL5260075 0.82 F10 (0.60) F10NPC1RAB9AGAASMN1; SMN2
SCHEMBL5224056 0.81 F10 (0.61) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6171234 0.81 HDAC1 (0.48) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5228240 0.79 NR1H4 (0.62) F10NPC1RAB9AGAASMN1; SMN2
SCHEMBL7250674 0.78 ACHE (0.48) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5227723 0.76 BRAF (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3755344 0.75 F10 (0.59) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL27585346 0.74 F10 (0.58) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL17222455 0.74 NPC1 (0.58) HDAC3HDAC11HDAC8HDAC6NPC1
SCHEMBL5226034 0.74 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7

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 HDAC1 61/4885HDAC2 166/4885HDAC3 156/4885

“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.