SCHEMBL5226687

SCHEMBL5226687

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

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.74
RAB9A P51151 2/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
NR1H4 Q96RI1 14/20 0.71
PPARG P37231 11/20 0.71
PPARA Q07869 5/20 0.71
RXFP1 Q9HBX9 1/20 0.64
ALDH1A1 P00352 1/20 0.63
GLA P06280 1/20 0.63
ATM Q13315 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
F10 P00742 1/20 0.63
PPARD Q03181 1/20 0.60
SERPINE1 P05121 1/20 0.60

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) SMN1; SMN2NR1H4PPARGPPARAPPARD
SCHEMBL5223950 0.88 NR1H4 (0.71) NPC1RAB9ASMN1; SMN2NR1H4PPARG
SCHEMBL29903436 0.88 NR1H4 (0.74) NR1H4PPARGPPARAPPARD
SCHEMBL5223825 0.87 NR1H4 (0.71) NR1H4PPARGPPARARXFP1PPARD
SCHEMBL5222902 0.87 NR1H4 (0.67) NR1H4PPARGPPARAPPARD
SCHEMBL12316777 0.86 POLB (0.69) NPC1RAB9ARXFP1ALDH1A1F10
SCHEMBL7303572 0.86 NPC1 (1.00) NPC1RAB9ASMN1; SMN2NR1H4
SCHEMBL5223218 0.85 NR1H4 (0.73) NPC1RAB9ASMN1; SMN2NR1H4PPARG
SCHEMBL6108304 0.84 F10 (0.72) F10
SCHEMBL1687877 0.84 SMO (0.73) NPC1RAB9ASMN1; SMN2NR1H4PPARG

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 NPC1 1618/4885RAB9A 2658/4885SMN1; 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.