SCHEMBL4252424

SCHEMBL4252424

O=C(NCCOc1ccc(C(=S)NO)cc1)N1CCc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ PRMT5 O14744 3/20 0.44
▸ WDR77 Q9BQA1 3/20 0.44
▸ MAPK1 P28482 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
SCHEMBL4251410 0.92 NAMPT (0.58) NAMPT
SCHEMBL442303 0.89 NAMPT (0.58) NAMPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4255199 0.83 RAB9A (0.51) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL1026449 0.81 NAMPT (0.56) NAMPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4251760 0.81 HPGD (0.48) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL444536 0.81 NAMPT (0.67) NAMPT
SCHEMBL4251082 0.80 MAPT (0.56) SMN1; SMN2HPGDTSHRTDP1GAA
SCHEMBL4249828 0.79 HRH3 (0.49) NPC1RAB9ASMN1; SMN2TSHRHSD17B10
SCHEMBL4247786 0.78 FAAH (0.53) SMN1; SMN2HPGDALDH1A1KMT2AMEN1
SCHEMBL4254267 0.77 HRH3 (0.42) NPC1RAB9ASMN1; SMN2HPGDTSHR

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 NAMPT 179/4885NPC1 1960/4885RAB9A 3763/4885

“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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