SCHEMBL12193333

SCHEMBL12193333

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(N2CC[C@H](N)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
MCHR1 Q99705 5/20 0.44
F10 P00742 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL8230500 0.90 MCHR1 (0.48) HDAC1MCHR1MALT1POLB
SCHEMBL12193409 0.88 ALDH1A1 (0.45) ALDH1A1HPGDHDAC1HDAC3HDAC4
SCHEMBL12279845 0.88 ALDH1A1 (0.53) ALDH1A1HPGDHDAC1HDAC3HDAC4
SCHEMBL12193418 0.86 MCHR1 (0.61) ALDH1A1HPGDHDAC1MCHR1F10
SCHEMBL14155945 0.85 HDAC2 (0.44) ALDH1A1HPGDHDAC1HDAC3HDAC2
SCHEMBL12193402 0.85 HDAC1 (0.59) HDAC1HDAC3HDAC2HDAC8
SCHEMBL2406015 0.83 NAMPT (0.52) NAMPTALDH1A1HPGDHDAC1HDAC3
SCHEMBL12193337 0.81 CTSL (0.48) NAMPTALDH1A1HDAC1HDAC3HDAC2
SCHEMBL2830700 0.81 F10 (0.64) HDAC3HDAC8F10SMN1; SMN2PLA2G1B
SCHEMBL17424657 0.80 HDAC1 (0.53) NAMPTALDH1A1HPGDHDAC1HDAC3

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-8354445-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-01-15 US disclosed
US-8030344-B2 Such as (S)-2-(Dimethylamino)ethyl-1-(4-(2-aminophenylcarbamoyl)-phenyl)pyrrolidin-3-ylcarbamate for treating cell proliferative disorders METHYLGENE INC. (CA) 2011-10-04 US disclosed
US-20110212965-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2011-09-01 US disclosed
US-20080227826-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-09-18 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 (2 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-20080227826-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC5 NAMPT 498/4885ALDH1A1 465/4885HPGD 1078/4885
US-20110212965-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC5 NAMPT 498/4885ALDH1A1 465/4885HPGD 1078/4885

“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.