SCHEMBL4258436

SCHEMBL4258436

Cc1cccc2oc(C(=O)NCCOc3ccc(C(=S)NO)cc3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ HDAC3 O15379 2/20 0.48
▸ HDAC1 Q13547 2/20 0.48
▸ HDAC2 Q92769 2/20 0.48
▸ HDAC10 Q969S8 2/20 0.48
▸ HDAC8 Q9BY41 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ NCOR2 Q9Y618 1/20 0.48
▸ NPC1 O15118 6/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL443286 0.91 HDAC3 (0.57) HPGDSMN1; SMN2TSHRHDAC3HDAC1
SCHEMBL4248678 0.89 HPGD (0.52) HPGDSMN1; SMN2TSHRHDAC3HDAC1
SCHEMBL4252233 0.89 HPGD (0.49) HPGDSMN1; SMN2TSHRHDAC3HDAC1
SCHEMBL4247735 0.84 HPGD (0.73) HPGDSMN1; SMN2TSHRHDAC3HDAC1
SCHEMBL4255704 0.83 NPC1 (0.44) HPGDSMN1; SMN2TSHRHDAC3HDAC1
SCHEMBL4258405 0.83 NPC1 (0.43) HPGDSMN1; SMN2TSHRHDAC3HDAC1
SCHEMBL4252213 0.82 HPGD (0.55) HPGDSMN1; SMN2TSHRHDAC3HDAC1
SCHEMBL4254752 0.81 HPGD (0.54) HPGDSMN1; SMN2TSHRHDAC3HDAC1
SCHEMBL3660184 0.81 HDAC2 (0.52) HPGDSMN1; SMN2TSHRHDAC3HDAC1
SCHEMBL4251140 0.81 HPGD (0.69) HPGDSMN1; SMN2TSHRHDAC3HDAC1

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.

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