SCHEMBL6287981

SCHEMBL6287981

O=C(O)C[C@H](NC(=O)Cc1ccsc1)C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@H](CC(=O)O)NC(=O)Cc3ccsc3)cc2)c2ccc(NC(=O)[C@H](CC(=O)O)NC(=O)Cc3ccsc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.40
SIRT5 Q9NXA8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
MEN1 O00255 1/20 0.38
GLS O94925 1/20 0.37
ITGB1 P05556 2/20 0.36
ITGA4 P13612 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL6288075 0.91 RAB9A (0.46) RAB9ANPC1TDP1KMT2AL3MBTL1
SCHEMBL7037672 0.90 RAB9A (0.46) RAB9ANPC1TDP1KMT2AL3MBTL1
SCHEMBL6291026 0.88 RAB9A (0.49) RAB9ANPC1TDP1KMT2AL3MBTL1
SCHEMBL6287170 0.87 HDAC8 (0.50) RAB9ANPC1TDP1L3MBTL1POLB
SCHEMBL7040078 0.84 RAB9A (0.47) RAB9ANPC1TDP1KMT2AL3MBTL1
SCHEMBL6285279 0.84 RAB9A (0.45) RAB9ANPC1TDP1KMT2AL3MBTL1
SCHEMBL6287643 0.83 RAB9A (0.54) RAB9ANPC1TDP1KMT2AL3MBTL1
SCHEMBL6282719 0.83 RAB9A (0.46) RAB9ANPC1TDP1KMT2ASIRT5
Hydrochloric Acid SCHEMBL6287059 0.82 RAB9A (0.43) RAB9ANPC1TDP1KMT2AL3MBTL1
SCHEMBL6282562 0.82 GAA (0.47) RAB9ANPC1TDP1KMT2AL3MBTL1

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 RAB9A 4327/4885NPC1 3910/4885TDP1 4329/4885

“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.