SCHEMBL5224812

SCHEMBL5224812

CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(N)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 15/20 0.61
PPARG P37231 10/20 0.61
ATM Q13315 2/20 0.60
KMT2A Q03164 1/20 0.60
NPC1 O15118 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
PPARA Q07869 6/20 0.53
PPARD Q03181 1/20 0.53
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51

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
SCHEMBL5225693 0.81 NR1H4 (0.54) NR1H4PPARGATMKMT2ANPC1
SCHEMBL7246382 0.80 KCNK9 (0.62) NR1H4PPARGKMT2ANPC1ALDH1A1
SCHEMBL5228698 0.78 NR1H4 (0.77) NR1H4PPARGRXFP1PPARAPPARD
SCHEMBL5226864 0.77 NR1H4 (0.77) NR1H4PPARGPPARAPPARD
SCHEMBL7302098 0.77 PDCD1 (0.68) NR1H4PPARGATMNPC1PPARA
SCHEMBL4831403 0.77 NR1H4 (0.67) NR1H4PPARGATMNPC1PPARA
SCHEMBL2664554 0.77 KMT2A (0.77) ATMKMT2ANPC1RXFP1RAB9A
SCHEMBL6108304 0.76 F10 (0.72)
SCHEMBL5226687 0.76 NPC1 (0.74) NR1H4PPARGATMNPC1RXFP1
SCHEMBL6105957 0.76 NR1H4 (0.78) NR1H4PPARGATMKMT2ANPC1

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 2764/4885ATM 2580/4885

“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.