SCHEMBL4255699

SCHEMBL4255699

O=C(NC1(C#Cc2ccc(C(=S)NO)cc2)CCCCC1)c1cc2ccccc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.40
NPC1 O15118 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
BCAT1 P54687 1/20 0.39
ALDH1A1 P00352 4/20 0.39
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL4247756 1.00 RAB9A (0.40) RAB9ANPC1SMN1; SMN2TP53TDP1
SCHEMBL4250887 0.97 RAB9A (0.41) RAB9ANPC1SMN1; SMN2TP53TDP1
SCHEMBL4258421 0.95 RAB9A (0.42) RAB9ANPC1SMN1; SMN2TP53TDP1
SCHEMBL4815983 0.91 TDP1 (0.44) RAB9ANPC1SMN1; SMN2TP53TDP1
SCHEMBL4818988 0.91 TDP1 (0.44) RAB9ANPC1SMN1; SMN2TP53TDP1
SCHEMBL4248565 0.91 RAB9A (0.39) RAB9ANPC1SMN1; SMN2TP53TDP1
SCHEMBL4809405 0.88 TDP1 (0.45) RAB9ANPC1SMN1; SMN2TP53TDP1
SCHEMBL4808840 0.86 TDP1 (0.46) RAB9ANPC1SMN1; SMN2TP53TDP1
SCHEMBL5497379 0.82 TDP1 (0.43) RAB9ANPC1SMN1; SMN2TP53TDP1
Hydrochloric Acid SCHEMBL4819148 0.81 TDP1 (0.42) RAB9ANPC1SMN1; SMN2TP53TDP1

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 RAB9A 3763/4885NPC1 1960/4885SMN1; 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.