SCHEMBL4248041

SCHEMBL4248041

COCCOc1ccc2cc(C(=O)NCCOc3ccc(C(=S)NO)cc3)oc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP2D6 P10635 2/20 0.50
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
MMP13 P45452 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 2/20 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
SCHEMBL4254278 0.93 HPGD (0.53) HPGDTSHRSMN1; SMN2CYP2D6MEN1
SCHEMBL447715 0.91 HPGD (0.57) HPGDTSHRSMN1; SMN2CYP2D6MEN1
SCHEMBL4252213 0.89 HPGD (0.55) HPGDTSHRSMN1; SMN2CYP2D6MEN1
SCHEMBL4247735 0.87 HPGD (0.73) HPGDTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL4247798 0.86 HDAC3 (0.60) HPGDTSHRSMN1; SMN2CYP2D6HDAC3
SCHEMBL4254752 0.84 HPGD (0.54) HPGDTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL4250488 0.84 HPGD (0.54) HPGDTSHRSMN1; SMN2HDAC3HDAC1
SCHEMBL447834 0.84 HPGD (0.56) HPGDTSHRSMN1; SMN2CYP2D6HDAC3
SCHEMBL4251140 0.84 HPGD (0.69) HPGDTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL4252248 0.84 CYP1A2 (0.51) HPGDTSHRSMN1; SMN2CYP2D6MEN1

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 351/4885TSHR 2266/4885SMN1; SMN2 3469/4885

“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.