SCHEMBL5223825

SCHEMBL5223825

CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 16/20 0.71
PPARG P37231 11/20 0.71
PPARA Q07869 7/20 0.71
RXFP1 Q9HBX9 1/20 0.64
PPARD Q03181 1/20 0.60
HDAC3 O15379 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59

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
SCHEMBL5226864 0.89 NR1H4 (0.77) NR1H4PPARGPPARAPPARD
SCHEMBL29903436 0.88 NR1H4 (0.74) NR1H4PPARGPPARAPPARD
SCHEMBL5223950 0.88 NR1H4 (0.71) NR1H4PPARGPPARARXFP1PPARD
SCHEMBL5222902 0.87 NR1H4 (0.67) NR1H4PPARGPPARAPPARD
SCHEMBL5226687 0.87 NPC1 (0.74) NR1H4PPARGPPARARXFP1PPARD
SCHEMBL7296335 0.86 HDAC6 (0.78) NR1H4HDAC3HDAC11HDAC8HDAC6
SCHEMBL1982935 0.86 HDAC6 (0.78) NR1H4HDAC3HDAC11HDAC8HDAC6
SCHEMBL5223218 0.85 NR1H4 (0.73) NR1H4PPARGPPARARXFP1PPARD
SCHEMBL13870857 0.82 DHODH (0.67) NR1H4PPARGPPARARXFP1
SCHEMBL7292297 0.82 NR1H4 (0.74) NR1H4PPARGPPARAPPARD

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 NR1H4 2304/4885PPARG 2764/4885PPARA 3286/4885

“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.