SCHEMBL4251760

SCHEMBL4251760

O=C(NCCOc1ccc(C(=S)NO)cc1)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ PSMB1 P20618 1/20 0.44
▸ PSMB5 P28074 1/20 0.44
▸ PSMB2 P49721 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALOX15 P16050 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL4249828 0.88 HRH3 (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL444757 0.88 ALDH1A1 (0.50) HPGDALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4251410 0.83 NAMPT (0.58) —
SCHEMBL4254267 0.83 HRH3 (0.42) HPGDALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4247786 0.82 FAAH (0.53) HPGDALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4252424 0.81 NAMPT (0.51) HPGDALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4251082 0.77 MAPT (0.56) HPGDALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4255199 0.77 RAB9A (0.51) HPGDALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL446949 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL4257390 0.74 NPC1 (0.71) HPGDSMN1; SMN2KMT2AMEN1NPC1

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 351/4885ALDH1A1 601/4885SMN1; 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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