SCHEMBL5222596

SCHEMBL5222596

CC(C)(C)c1ccc(C(=O)Nc2c(N)cccc2C(=O)c2cccc(C(N)=O)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK9 Q9NPC2 1/20 0.48
KCNK3 O14649 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
THRB P10828 1/20 0.46
NR1H4 Q96RI1 6/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC1 Q13547 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
EPHX2 P34913 1/20 0.41
PPARG P37231 1/20 0.41
DHODH Q02127 1/20 0.41
HDAC3 O15379 1/20 0.41
GRIN2C Q14957 1/20 0.40
NPC1 O15118 1/20 0.40

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
Hydrochloric Acid SCHEMBL6771888 0.90 KCNK9 (0.45) KCNK9KCNK3SMN1; SMN2TP53THRB
SCHEMBL5226616 0.89 KCNK9 (0.49) KCNK9KCNK3SMN1; SMN2TP53THRB
SCHEMBL5226258 0.89 KCNK9 (0.49) KCNK9KCNK3SMN1; SMN2TP53THRB
SCHEMBL6772370 0.89 KCNK9 (0.44) KCNK9KCNK3SMN1; SMN2TP53THRB
SCHEMBL6772377 0.89 KCNK9 (0.44) KCNK9KCNK3SMN1; SMN2TP53THRB
SCHEMBL7250538 0.86 TP53 (0.49) KCNK9KCNK3SMN1; SMN2TP53THRB
SCHEMBL5228003 0.85 EPHX2 (0.48) KCNK9KCNK3SMN1; SMN2TP53THRB
SCHEMBL5222980 0.85 TP53 (0.63) KCNK9KCNK3SMN1; SMN2TP53NR1H4
SCHEMBL5223651 0.84 NR1H4 (0.56) KCNK9KCNK3SMN1; SMN2TP53THRB
SCHEMBL5226770 0.84 NR1H4 (0.46) KCNK9KCNK3SMN1; SMN2TP53THRB

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 KCNK9 1168/4885KCNK3 2579/4885SMN1; 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.