SCHEMBL4254244

SCHEMBL4254244

O=C(NCCOc1cc(C(=S)NO)on1)c1cc2ccccc2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
TSHR P16473 3/20 0.60
HPGD P15428 2/20 0.60
HDAC1 Q13547 3/20 0.50
HDAC2 Q92769 3/20 0.50
MEN1 O00255 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
ALDH1A1 P00352 3/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL4251260 0.97 HPGD (0.56) SMN1; SMN2TSHRHPGDHDAC1HDAC2
SCHEMBL443869 0.91 SMN1; SMN2 (0.64) SMN1; SMN2TSHRHPGDHDAC1HDAC2
SCHEMBL443603 0.88 HPGD (0.59) SMN1; SMN2TSHRHPGDHDAC1HDAC2
SCHEMBL4252914 0.83 HDAC1 (0.52) SMN1; SMN2TSHRHPGDHDAC1HDAC2
SCHEMBL4253316 0.82 HPGD (0.45) SMN1; SMN2TSHRHPGDHDAC1HDAC2
SCHEMBL4247914 0.82 ALDH1A1 (0.45) SMN1; SMN2TSHRHPGDHDAC1HDAC2
SCHEMBL4247735 0.81 HPGD (0.73) SMN1; SMN2TSHRHPGDHDAC1HDAC2
SCHEMBL4251111 0.80 TAS1R3 (0.59) SMN1; SMN2MEN1RAB9AKMT2ANPC1
SCHEMBL4251733 0.80 HDAC1 (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4254774 0.79 ITPR1 (0.44) HPGDHDAC1HDAC2MEN1RAB9A

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 SMN1; SMN2 3469/4885TSHR 2266/4885HPGD 351/4885

“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.