SCHEMBL191992

SCHEMBL191992

N[C@@H](CCOc1ccc(NC(=O)CCCCCCC(=O)NO)cc1)C(=O)OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.48
HDAC3 O15379 8/20 0.48
HDAC6 Q9UBN7 8/20 0.48
HDAC2 Q92769 8/20 0.48
HDAC8 Q9BY41 5/20 0.48
HDAC10 Q969S8 4/20 0.48
HDAC11 Q96DB2 4/20 0.48
HDAC4 P56524 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC9 Q9UKV0 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
CDK9 P50750 1/20 0.46
LTA4H P09960 2/20 0.45
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
NCOR2 Q9Y618 2/20 0.44
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 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
SCHEMBL191993 1.00 HDAC1 (0.48) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL192132 0.90 LTA4H (0.47) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL192131 0.90 LTA4H (0.47) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL12463949 0.84 HDAC1 (0.62) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL192980 0.82 LTA4H (0.64) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL192981 0.82 LTA4H (0.64) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL1147939 0.79 SMN1; SMN2 (0.43) ALDH1A1HTT
SCHEMBL490765 0.79 SMN1; SMN2 (0.43) ALDH1A1HTT
SCHEMBL12395418 0.78 ALDH1A1 (0.45) ALDH1A1HTT
SCHEMBL10143862 0.77 NFE2L2 (0.47) LTA4HALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877366-B1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2012-01-04 EP disclosed
EP-1877366-B1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2012-01-04 EP disclosed
US-7973181-B2 Hydroxamic acid derivatives as inhibitors of HDAC enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2011-07-05 US disclosed
US-7973181-B2 Hydroxamic acid derivatives as inhibitors of HDAC enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2011-07-05 US disclosed
US-7973181-B2 Hydroxamic acid derivatives as inhibitors of HDAC enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2011-07-05 US disclosed
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2009-12-03 US disclosed
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2009-12-03 US disclosed
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2009-12-03 US disclosed
WO-2006117548-A1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2006-11-09 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-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY HDAC1, HDAC3, HAT1 HDAC1 1/4885HDAC3 2/4885HDAC6 22/4885

“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.