SCHEMBL5222980

SCHEMBL5222980

COc1cccc(C(=O)c2cccc(N)c2NC(=O)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.63
NR1H4 Q96RI1 2/20 0.52
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
GPBAR1 Q8TDU6 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MAPT P10636 4/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.47
STAT1 P42224 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
KCNK9 Q9NPC2 3/20 0.46

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
SCHEMBL5222203 0.90 MAPT (0.54) TP53NR1H4PPARGPPARDGPBAR1
SCHEMBL5225408 0.87 ALDH1A1 (0.51) TP53NR1H4PPARGSMN1; SMN2RAB9A
SCHEMBL5226616 0.86 KCNK9 (0.49) TP53NR1H4PPARGSMN1; SMN2NPC1
SCHEMBL5226258 0.86 KCNK9 (0.49) TP53NR1H4PPARGSMN1; SMN2KMT2A
SCHEMBL5222596 0.85 KCNK9 (0.48) TP53NR1H4PPARGSMN1; SMN2NPC1
SCHEMBL5222226 0.85 SMN1; SMN2 (0.47) TP53NR1H4PPARGSMN1; SMN2RAB9A
SCHEMBL5223651 0.84 NR1H4 (0.56) TP53NR1H4SMN1; SMN2MAPTKCNK9
SCHEMBL5226432 0.83 HDAC1 (0.53) TP53NPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL5228003 0.83 EPHX2 (0.48) TP53NR1H4PPARGSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL6771888 0.83 KCNK9 (0.45) TP53NR1H4PPARGSMN1; SMN2KMT2A

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 TP53 4753/4885NR1H4 2304/4885TSHR 2545/4885

“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.