SCHEMBL4249828

SCHEMBL4249828

O=C(NCCOc1ccc(C(=S)NO)cc1)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
LMNA P02545 2/20 0.48
ADRB2 P07550 2/20 0.48
NFKB1 P19838 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NR1I2 O75469 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
PTGS2 P35354 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 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
SCHEMBL4251760 0.88 HPGD (0.48) HRH3LMNAHSD17B10ALDH1A1TSHR
SCHEMBL446949 0.88 ALDH1A1 (0.54) HRH3LMNAADRB2NFKB1HIF1A
SCHEMBL4251410 0.81 NAMPT (0.58)
SCHEMBL6137603 0.81 MTNR1A (0.54) LMNAADRB2NFKB1HIF1AHSD17B10
SCHEMBL4254267 0.81 HRH3 (0.42) HRH3LMNAHSD17B10ALDH1A1TSHR
SCHEMBL4247786 0.81 FAAH (0.53) LMNAALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL4252424 0.79 NAMPT (0.51) HSD17B10ALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL4613986 0.79 HTT (0.51) HRH3LMNAADRB2NFKB1HIF1A
SCHEMBL444757 0.76 ALDH1A1 (0.50) LMNAALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL4255199 0.75 RAB9A (0.51) LMNANFKB1ALDH1A1TSHRSMN1; SMN2

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 198/4885LMNA 2081/4885ADRB2 4533/4885

“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.