SCHEMBL4256729

SCHEMBL4256729

C[C@H](CNC(=O)/C=C/c1ccccc1)Oc1ccc(C(=S)NO)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.44
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
MMP1 P03956 2/20 0.43
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC4 P56524 1/20 0.43
EGFR P00533 3/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL4255702 0.90 HDAC3 (0.52) MTNR1AMTNR1BKMT2ASMN1; SMN2RAB9A
SCHEMBL446312 0.89 HDAC1 (0.50) MTNR1AMTNR1BKMT2ASMN1; SMN2RAB9A
SCHEMBL445026 0.89 HDAC1 (0.50) MTNR1AMTNR1BKMT2ASMN1; SMN2RAB9A
SCHEMBL445027 0.89 HDAC1 (0.50) MTNR1AMTNR1BKMT2ASMN1; SMN2RAB9A
SCHEMBL445981 0.79 HDAC3 (0.54) MTNR1AMTNR1BSMN1; SMN2RAB9AHDAC3
SCHEMBL445980 0.79 HDAC3 (0.54) MTNR1AMTNR1BSMN1; SMN2RAB9AHDAC3
SCHEMBL4253893 0.78 SMN1; SMN2 (0.74) KMT2ASMN1; SMN2RAB9AHDAC3HDAC1
SCHEMBL4255664 0.77 SMN1; SMN2 (0.69) KMT2ASMN1; SMN2RAB9AHDAC3HDAC1
SCHEMBL4257552 0.76 TAS1R3 (0.46) KMT2ASMN1; SMN2RAB9AHTTL3MBTL1
SCHEMBL4257472 0.76 TAS1R3 (0.46) KMT2ASMN1; SMN2RAB9AHTTL3MBTL1

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 MTNR1A 3142/4885MTNR1B 2753/4885KMT2A 94/4885

“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.