SCHEMBL5227852

SCHEMBL5227852

CC(C)(C)c1ccc(C(=O)c2cccc(N)c2NC(=O)c2cccc(C=O)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 2/20 0.42
THRB P10828 1/20 0.42
NR1H4 Q96RI1 5/20 0.42
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
ESRRG P62508 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
EPHX2 P34913 1/20 0.40
HDAC1 Q13547 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5228003 0.84 EPHX2 (0.48) KCNK3KCNK9SMN1; SMN2TP53THRB
SCHEMBL5226616 0.83 KCNK9 (0.49) KCNK3KCNK9SMN1; SMN2TP53THRB
SCHEMBL5226258 0.83 KCNK9 (0.49) KCNK3KCNK9SMN1; SMN2TP53THRB
SCHEMBL5226770 0.83 NR1H4 (0.46) KCNK3KCNK9SMN1; SMN2TP53THRB
SCHEMBL5222596 0.82 KCNK9 (0.48) KCNK3KCNK9SMN1; SMN2TP53THRB
SCHEMBL7245531 0.82 NR1H4 (0.55) KCNK3KCNK9SMN1; SMN2TP53THRB
SCHEMBL5226646 0.82 NPC1 (0.56) KCNK3KCNK9SMN1; SMN2TP53THRB
SCHEMBL5224736 0.82 MAPT (0.55) KCNK3KCNK9SMN1; SMN2TP53THRB
SCHEMBL5222203 0.80 MAPT (0.54) SMN1; SMN2TP53NR1H4HDAC8HDAC6
SCHEMBL5222980 0.80 TP53 (0.63) KCNK3KCNK9SMN1; SMN2TP53NR1H4

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 KCNK3 2579/4885KCNK9 1168/4885SMN1; SMN2 2752/4885

“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.