SCHEMBL5222226

SCHEMBL5222226

COc1cc(C(=O)c2cccc(N)c2NC(=O)c2ccc(C(C)(C)C)cc2)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 3/20 0.47
MAPT P10636 3/20 0.47
THRB P10828 1/20 0.47
NR1H4 Q96RI1 8/20 0.46
PPARG P37231 5/20 0.46
PPARA Q07869 3/20 0.46
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
RAB9A P51151 1/20 0.43
KCNK3 O14649 1/20 0.43
DHODH Q02127 2/20 0.43
HTT P42858 1/20 0.43
PKM P14618 1/20 0.42
KCNK9 Q9NPC2 1/20 0.41
PDE4A P27815 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
SCHEMBL5225408 0.89 ALDH1A1 (0.51) SMN1; SMN2TP53MAPTTHRBNR1H4
SCHEMBL7250538 0.86 TP53 (0.49) SMN1; SMN2TP53MAPTTHRBNR1H4
SCHEMBL5222980 0.85 TP53 (0.63) SMN1; SMN2TP53MAPTNR1H4PPARG
SCHEMBL5222203 0.84 MAPT (0.54) SMN1; SMN2TP53MAPTNR1H4PPARG
SCHEMBL5225279 0.83 ALDH1A1 (0.52) SMN1; SMN2MAPTALDH1A1LMNAHPGD
SCHEMBL5226258 0.82 KCNK9 (0.49) SMN1; SMN2TP53THRBNR1H4PPARG
SCHEMBL5226616 0.82 KCNK9 (0.49) SMN1; SMN2TP53MAPTTHRBNR1H4
SCHEMBL5222596 0.81 KCNK9 (0.48) SMN1; SMN2TP53MAPTTHRBNR1H4
SCHEMBL5228003 0.81 EPHX2 (0.48) SMN1; SMN2TP53MAPTTHRBNR1H4
SCHEMBL5226770 0.80 NR1H4 (0.46) SMN1; SMN2TP53MAPTTHRBNR1H4

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 SMN1; SMN2 2752/4885TP53 4753/4885MAPT 4291/4885

“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.