Benzene

Benzene

SCHEMBL17784170

O=C(NCCS)c1cc(C(=O)NCCS)cc(C(=O)NCCS)c1.c1ccccc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.55
HDAC4 P56524 6/20 0.55
HDAC1 Q13547 6/20 0.55
HDAC7 Q8WUI4 6/20 0.55
HDAC2 Q92769 6/20 0.55
HDAC10 Q969S8 6/20 0.55
HDAC11 Q96DB2 6/20 0.55
HDAC8 Q9BY41 6/20 0.55
HDAC6 Q9UBN7 6/20 0.55
HDAC9 Q9UKV0 6/20 0.55
HDAC5 Q9UQL6 6/20 0.55
SMN1; SMN2 Q16637 2/20 0.47
FABP4 P15090 1/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.43
EPHX2 P34913 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL12189305 0.96 HDAC6 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12574357 0.88 KDM4E (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18783474 0.88 HDAC6 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
Emeramide SCHEMBL3077248 0.88 SMN1; SMN2 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21081411 0.86 HDAC6 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17784165 0.86 HDAC6 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21975038 0.86 MEN1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3122604 0.85 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12308200 0.82 HDAC1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17348122 0.82 L3MBTL1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802889-B2 Solid supported trithiol compounds for removing heavy metals from solution, and filtration systems utilizing the compounds Covalent Research Technologies, LLC (US) 2017-10-31 US disclosed
US-20160152563-A1 SOLID SUPPORTED TRITHIOL COMPOUNDS FOR REMOVING HEAVY METALS FROM SOLUTION, AND FILTRATION SYSTEMS UTILIZING THE COMPOUNDS BGHLD, LLC 2016-06-02 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-20160152563-A1 SOLID SUPPORTED TRITHIOL COMPOUNDS FOR REMOVING HEAVY METALS FROM SOLUTION, AND FILTRATION SYSTEMS UTILIZING THE COMPOUNDS SLC40A1, NAF1, SLC29A1 HDAC3 2810/4885HDAC4 2698/4885HDAC1 937/4885

“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.