SCHEMBL4248655

SCHEMBL4248655

ONC(=S)c1ccc2ccn(CCc3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.46
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 2/20 0.39
MGLL Q99685 2/20 0.39
FAAH O00519 1/20 0.39
BACE1 P56817 1/20 0.38

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
SCHEMBL4253215 0.93 CDK4 (0.40) NOS1HDAC1HDAC6HDAC2HDAC10
SCHEMBL4255642 0.87 HDAC8 (0.53) HDAC1HDAC6HDAC2HDAC10HDAC8
SCHEMBL1608518 0.85 HDAC6 (0.56) NOS1HDAC1HDAC6HDAC2HDAC10
SCHEMBL4251128 0.79 HDAC8 (0.53) HDAC1HDAC6HDAC2HDAC10HDAC8
SCHEMBL8690610 0.79 ALDH1A1 (0.57) NOS1HDAC1HDAC6HDAC2HDAC10
SCHEMBL4253918 0.78 BACE1 (0.39) HDAC1HDAC6HDAC2HDAC10HDAC8
SCHEMBL1608442 0.78 HDAC8 (0.55) HDAC1HDAC6HDAC2HDAC10HDAC8
SCHEMBL4253141 0.77 HDAC8 (0.47) HDAC1HDAC6HDAC2HDAC10HDAC8
SCHEMBL4251224 0.77 EPHX2 (0.46) HDAC1HDAC6HDAC2HDAC10HDAC8
SCHEMBL4250064 0.77 HDAC8 (0.47) HDAC1HDAC6HDAC2HDAC10HDAC8

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 NOS1 3706/4885HDAC1 1/4885HDAC6 11/4885

“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.