SCHEMBL380775

SCHEMBL380775

CN(CCCCNC(=O)O)C(=O)c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 14/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
LMNA P02545 2/20 0.43
SLC22A2 O15244 1/20 0.43
SLC22A1 O15245 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
ACHE P22303 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL767860 0.82 HDAC1 (0.48) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL380774 0.82 HDAC1 (0.45) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL21814958 0.79 RAB9A (0.45) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL380805 0.79 CHRM2 (0.42)
SCHEMBL768201 0.79 HDAC6 (0.44) HDAC3HDAC1HDAC6
SCHEMBL24505748 0.79 ALDH1A1 (0.53) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL15128280 0.79 DRD2 (0.46) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL4488661 0.79 PHLPP2 (0.53) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL380617 0.77 KDM4E (0.61) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL380616 0.77 LMNA (0.60) HDAC3HDAC1HDAC6HDAC4HDAC7

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-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 HDAC3 202/4885HDAC1 414/4885HDAC6 407/4885

“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.