SCHEMBL6287918

SCHEMBL6287918

O=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@H](Cc3ccc([N+](=O)[O-])cc3)NC(=O)Cc3c[nH]c4ccccc34)cc2)c2ccc(NC(=O)[C@H](Cc3ccc([N+](=O)[O-])cc3)NC(=O)Cc3c[nH]c4ccccc34)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.52
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
MMP2 P08253 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HDAC8 Q9BY41 5/20 0.48
HDAC3 O15379 4/20 0.48
HDAC4 P56524 4/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC7 Q8WUI4 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC10 Q969S8 4/20 0.48
HDAC11 Q96DB2 4/20 0.48
HDAC6 Q9UBN7 4/20 0.48
HDAC9 Q9UKV0 4/20 0.48
HDAC5 Q9UQL6 4/20 0.48
MAPK1 P28482 1/20 0.47

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
SCHEMBL6290992 0.89 HDAC8 (0.54) MEN1MAPTKMT2ASMN1; SMN2HDAC8
SCHEMBL6287093 0.88 SLC6A2 (0.53) MAPTSMN1; SMN2LMNAHDAC8HDAC3
SCHEMBL6287783 0.86 HDAC8 (0.61) FPR2MAPTSMN1; SMN2LMNAHDAC8
SCHEMBL6287220 0.84 ECE1 (0.57) MEN1MAPTKMT2AHDAC8HDAC3
SCHEMBL6287571 0.83 HDAC1 (0.43) MEN1MAPTKMT2ALMNAHDAC8
SCHEMBL6287685 0.82 HDAC1 (0.52) MAPTSMN1; SMN2HDAC8HDAC3HDAC4
Trifluoroacetic Acid SCHEMBL6287362 0.81 LMNA (0.49) MAPTSMN1; SMN2LMNAHDAC8HDAC3
SCHEMBL6287655 0.81 HDAC1 (0.50) FPR2MAPTMMP2SMN1; SMN2HDAC8
SCHEMBL28369266 0.80 MAPT (0.69) MEN1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL7038483 0.80 HDAC1 (0.49) MAPTSMN1; SMN2LMNAHDAC8HDAC3

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 FPR2 86/4885MEN1 111/4885MAPT 4866/4885

“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.