SCHEMBL6287864

SCHEMBL6287864

Cc1[nH]c2ccccc2c1CC(=O)N[C@H](CCCCN)C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@@H](CCCCN)NC(=O)Cc3c(C)[nH]c4ccccc34)cc2)c2ccc(NC(=O)[C@@H](CCCCN)NC(=O)Cc3c(C)[nH]c4ccccc34)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.56
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
EHMT2 Q96KQ7 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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 SCHEMBL6287747 0.99 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6290235 0.91 HDAC1 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2
Hydrochloric Acid SCHEMBL6286894 0.89 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
Hydrochloric Acid SCHEMBL6290306 0.89 HDAC1 (0.49) HDAC1HDAC3HDAC4HDAC7HDAC2
Hydrochloric Acid SCHEMBL6290945 0.89 ESR1 (0.48) HDAC1HDAC3HDAC4HDAC7HDAC2
Hydrochloric Acid SCHEMBL7035300 0.89 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
Hydrochloric Acid SCHEMBL6290836 0.89 HDAC1 (0.44) HDAC1EHMT2ESR1ESR2
SCHEMBL6287331 0.88 HDAC1 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2
Hydrochloric Acid SCHEMBL7032373 0.88 HDAC1 (0.62) HDAC1HDAC3HDAC4HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL6290833 0.88 HDAC1 (0.49) HDAC1HDAC3HDAC4HDAC7HDAC2

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 6 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 claimed
US-20030162724-A1 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-28 US claimed
EP-1291341-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN-LIKE ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-12 EP claimed
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 HDAC1 3488/4885HDAC3 3546/4885HDAC4 4652/4885

“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.