SCHEMBL4899345

SCHEMBL4899345

CCN(CC)CCNC(=O)c1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.57
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SLC22A2 O15244 1/20 0.48
SLC22A1 O15245 1/20 0.48
TSHR P16473 1/20 0.48
ACHE P22303 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
KCNH2 Q12809 3/20 0.48
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
HDAC3 O15379 1/20 0.45

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
SCHEMBL4895682 0.91 HDAC1 (0.58) HDAC1KCNH2HPGDHDAC3
SCHEMBL3607846 0.90 HDAC1 (0.58) HDAC1LMNAALDH1A1SLC22A2SLC22A1
SCHEMBL4899379 0.82 HDAC1 (0.69) HDAC1KCNH2
SCHEMBL22874415 0.81 ALDH1A1 (0.55) HDAC1LMNAALDH1A1SLC22A2SLC22A1
SCHEMBL4898560 0.80 HDAC1 (0.59) HDAC1KCNH2HDAC3
SCHEMBL4890641 0.79 HDAC1 (0.67) HDAC1MAPK1KCNH2HDAC3
SCHEMBL18394309 0.79 HDAC1 (0.51) HDAC1LMNAALDH1A1SLC22A2SLC22A1
SCHEMBL4492590 0.78 HDAC3 (0.57) HDAC1LMNAALDH1A1SLC22A2SLC22A1
SCHEMBL4887537 0.77 HDAC1 (0.67) HDAC1KCNH2HDAC3
SCHEMBL4897259 0.76 HDAC1 (0.69) HDAC1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119451-A1 Novel Benzamide Derivatives ASTRAZENECA AB (SE) 2008-05-22 US claimed
WO-2006077387-A2 NOVEL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-07-27 WO claimed
US-20080119451-A1 Novel Benzamide Derivatives ASTRAZENECA AB (SE) 2008-05-22 US disclosed
WO-2006077387-A2 NOVEL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-07-27 WO 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-20080119451-A1 Novel Benzamide Derivatives HDAC1, HDAC11, HDAC2 HDAC1 1/4885LMNA 178/4885ALDH1A1 585/4885

“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.