SCHEMBL7211889

SCHEMBL7211889

NCCC[C@H](NC(=O)c1cnccn1)C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@H](CCCN)NC(=O)c3cnccn3)cc2)c2ccc(NC(=O)[C@H](CCCN)NC(=O)c3cnccn3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.47
MEF2D Q14814 1/20 0.47
LONP1 P36776 9/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KMT2A Q03164 1/20 0.44
PSMB11 A5LHX3 3/20 0.44
PSMA7 O14818 3/20 0.44
PSMB1 P20618 3/20 0.44
PSMA1 P25786 3/20 0.44
PSMA2 P25787 3/20 0.44
PSMA3 P25788 3/20 0.44
PSMA4 P25789 3/20 0.44
PSMB8 P28062 3/20 0.44
PSMB9 P28065 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
Hydrochloric Acid SCHEMBL6287638 0.96 HDAC4 (0.47) HDAC4MEF2DLONP1NPC1RAB9A
Hydrochloric Acid SCHEMBL6288036 0.79 HDAC4 (0.54) HDAC4MEF2DNPC1RAB9ASMN1; SMN2
SCHEMBL25286304 0.79 LONP1 (0.49) LONP1NFKB1NFKB2RELAPSMB11
SCHEMBL25286303 0.79 LONP1 (0.49) LONP1NFKB1NFKB2RELAPSMB11
SCHEMBL29889201 0.79 LONP1 (0.49) LONP1NFKB1NFKB2RELAPSMB11
SCHEMBL9158908 0.76 LONP1 (0.48) LONP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL9158915 0.76 LONP1 (0.48) LONP1PSMB11PSMA7PSMB1PSMA1
SCHEMBL7211906 0.75 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL6286708 0.74 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
Hydrochloric Acid SCHEMBL6290917 0.73 HDAC4 (0.44) HDAC4MEF2DHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162724-A1 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-28 US 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 HDAC4 4652/4885MEF2D 2563/4885LONP1 2671/4885

“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.