SCHEMBL6284047

SCHEMBL6284047

O=C(Cc1c[nH]c2ccccc12)N[C@@H](CCNC(=O)OCc1ccccc1)C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@H](CCNC(=O)OCc3ccccc3)NC(=O)Cc3c[nH]c4ccccc34)cc2)c2ccc(NC(=O)[C@H](CCNC(=O)OCc3ccccc3)NC(=O)Cc3c[nH]c4ccccc34)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.56
NMBR P28336 2/20 0.54
CASP1 P29466 1/20 0.51
MAPT P10636 4/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
LMNA P02545 1/20 0.49
CA2 P00918 1/20 0.47
SIRT5 Q9NXA8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44

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
SCHEMBL6287920 0.92 BMP1 (0.53) BMP1NMBRCASP1MAPTGAA
SCHEMBL6287532 0.85 S1PR1 (0.54) MAPTSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL7038483 0.83 HDAC1 (0.49) MAPTHTTLMNASMN1; SMN2ALDH1A1
SCHEMBL6290992 0.83 HDAC8 (0.54) MAPTSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL6287655 0.82 HDAC1 (0.50) CASP1MAPTMMP9MMP8SMN1; SMN2
SCHEMBL6287220 0.82 ECE1 (0.57) MAPTGAAHTTHDAC3HDAC4
SCHEMBL6287685 0.80 HDAC1 (0.52) MAPTSMN1; SMN2ALDH1A1HDAC3HDAC4
SCHEMBL6287783 0.80 HDAC8 (0.61) MAPTHTTLMNASMN1; SMN2HDAC3
SCHEMBL6284142 0.80 HDAC1 (0.50) MAPTMMP9MMP8SMN1; SMN2HDAC3
SCHEMBL6288076 0.80 HDAC1 (0.50) MAPTSMN1; SMN2ALDH1A1HDAC3HDAC4

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 BMP1 90/4885NMBR 656/4885CASP1 2442/4885

“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.