SCHEMBL6286737

SCHEMBL6286737

N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@@H](N)Cc3ccccc3)cc2)c2ccc(NC(=O)[C@@H](N)Cc3ccccc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.63
CIT O14578 1/20 0.56
HDAC8 Q9BY41 2/20 0.53
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
LTA4H P09960 4/20 0.51
CTSC P53634 1/20 0.50
SLC15A1 P46059 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
AKT1 P31749 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
ROCK2 O75116 2/20 0.49
ROCK1 Q13464 1/20 0.49

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
SCHEMBL28279157 0.89 BACE1 (0.63) BACE1CITHDAC8ALPIPKM
SCHEMBL2312372 0.89 BACE1 (0.63) BACE1CITHDAC8ALPIPKM
SCHEMBL2312361 0.89 BACE1 (0.63) BACE1CITHDAC8ALPIPKM
SCHEMBL6287602 0.88 LTA4H (0.69) BACE1HDAC8LTA4HNPC1RAB9A
Hydrochloric Acid SCHEMBL5960990 0.87 HDAC8 (0.65) BACE1CITHDAC8ALPIPKM
Hydrochloric Acid SCHEMBL5960992 0.87 HDAC8 (0.65) BACE1CITHDAC8ALPIPKM
SCHEMBL6286555 0.85 AAK1 (0.52) BACE1CITHDAC8AKT1ROCK2
SCHEMBL23477267 0.85 BACE1 (0.60) BACE1CITHDAC8ALPIPKM
SCHEMBL7289459 0.85 BACE1 (0.60) BACE1CITHDAC8ALPIPKM
SCHEMBL6663334 0.85 ROCK2 (0.60) BACE1CITHDAC8ALPIPKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887890-B2 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-05-03 US disclosed
US-20030162724-A1 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-28 US disclosed
EP-1291341-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN-LIKE ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-12 EP 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-20030162724-A1 Compounds exhibiting thrombopoietin-like activities MPL, THPO, TEK BACE1 3304/4885CIT 3573/4885HDAC8 4710/4885

“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.