SCHEMBL4254267

SCHEMBL4254267

O=C(NCCOc1ccc(C(=S)NO)cc1)N1CC[C@@H](O)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HPGD P15428 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ UTS2R Q9UKP6 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL443189 0.89 HDAC6 (0.46) HRH3NPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL443190 0.89 HDAC6 (0.46) HRH3NPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL4251760 0.83 HPGD (0.48) HRH3NPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL4249828 0.81 HRH3 (0.49) HRH3NPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL4253993 0.79 NPC1 (0.47) NPC1SMN1; SMN2ALDH1A1RAB9AHPGD
SCHEMBL4251410 0.79 NAMPT (0.58) —
SCHEMBL4252424 0.77 NAMPT (0.51) NPC1SMN1; SMN2ALDH1A1RAB9AHPGD
SCHEMBL4247786 0.76 FAAH (0.53) SMN1; SMN2ALDH1A1HPGDMAPK1MEN1
SCHEMBL14917705 0.74 HDAC4 (0.65) —
SCHEMBL14917704 0.74 HDAC4 (0.65) —

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 HRH3 198/4885NPC1 1960/4885SMN1; 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.

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