SCHEMBL4252253

SCHEMBL4252253

O=C(NCCOc1ccc(C(=S)NO)cc1)c1ccc(-c2ccccc2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.52
▸ MAPT P10636 1/20 0.50
▸ ACKR3 P25106 9/20 0.48
▸ SLC2A1 P11166 1/20 0.48
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ HPGD P15428 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ 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
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 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
SCHEMBL443583 0.90 HDAC1 (0.59) HDAC1MAPTACKR3SLC2A1NPC1
SCHEMBL5758852 0.86 MAPT (0.53) HDAC1MAPTACKR3SLC2A1NPC1
SCHEMBL4257390 0.81 NPC1 (0.71) HDAC1MAPTNPC1RAB9AHPGD
SCHEMBL4248121 0.79 LMNA (0.65) HDAC1MAPTNPC1RAB9AHPGD
SCHEMBL4927652 0.79 ACKR3 (0.58) HDAC1MAPTACKR3SLC2A1NPC1
SCHEMBL4252262 0.79 HDAC1 (0.52) HDAC1ACKR3NPC1RAB9AHPGD
SCHEMBL4251090 0.78 MAPK1 (0.46) HDAC1MAPTNPC1RAB9AHPGD
SCHEMBL4251113 0.76 RAB9A (0.57) HDAC1ACKR3RAB9AHDAC3HDAC4
SCHEMBL4255520 0.76 SMN1; SMN2 (0.51) HDAC1MAPTNPC1RAB9AHPGD
SCHEMBL4257484 0.76 NPC1 (0.61) HDAC1MAPTNPC1RAB9AHPGD

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 HDAC1 1/4885MAPT 2673/4885ACKR3 4742/4885

“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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