SCHEMBL4252299

SCHEMBL4252299

C/C(=C\C(=O)NCCOc1ccc(C(=S)NO)cc1)c1cc2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 1/20 0.53
LMNA P02545 4/20 0.44
GAA P10253 3/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
MMP13 P45452 1/20 0.43
HDAC3 O15379 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
NCOR2 Q9Y618 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
SCHEMBL4248042 1.00 HPGD (0.53) HPGDSMN1; SMN2TSHRLMNAGAA
SCHEMBL443882 0.91 SMN1; SMN2 (0.58) HPGDSMN1; SMN2TSHRLMNAGAA
SCHEMBL443883 0.91 SMN1; SMN2 (0.58) HPGDSMN1; SMN2TSHRLMNAGAA
SCHEMBL443884 0.91 SMN1; SMN2 (0.58) HPGDSMN1; SMN2TSHRLMNAGAA
SCHEMBL4834840 0.89 TSHR (0.57) HPGDSMN1; SMN2TSHRLMNAGAA
SCHEMBL4247735 0.85 HPGD (0.73) HPGDSMN1; SMN2TSHRLMNAGAA
SCHEMBL4251140 0.82 HPGD (0.69) HPGDSMN1; SMN2TSHRLMNAGAA
SCHEMBL4248036 0.80 HDAC3 (0.44) HPGDSMN1; SMN2TSHRHDAC3HDAC1
SCHEMBL4828371 0.78 TSHR (0.53) HPGDSMN1; SMN2TSHRLMNAGAA
SCHEMBL14917735 0.78 HDAC4 (0.49) HPGDSMN1; SMN2TSHRHDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 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 (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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 HPGD 351/4885SMN1; SMN2 3469/4885TSHR 2266/4885

“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.