Benzene

Benzene

SCHEMBL18339010

O=C(O)NO.c1ccccc1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.45
HDAC8 Q9BY41 8/20 0.45
HDAC2 Q92769 6/20 0.45
HDAC1 Q13547 6/20 0.45
HDAC3 O15379 5/20 0.45
HDAC7 Q8WUI4 4/20 0.45
CA9 Q16790 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
IDO1 P14902 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
CA2 P00918 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PTGS1 P23219 1/20 0.40
MMP12 P39900 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL167656 0.91
SCHEMBL29094055 0.86
Ammonia Solution, Strong SCHEMBL11128762 0.86
SCHEMBL27555550 0.86
SCHEMBL28239834 0.86
SCHEMBL29217515 0.86
SCHEMBL28942165 0.86
Hydrochloric Acid SCHEMBL28285577 0.86
Ethane SCHEMBL11524507 0.82
Urea SCHEMBL29089000 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670176-B2 Process for the preparation of zileuton STRIDES SHASUN LIMITED (IN) 2017-06-06 US claimed
US-20160376251-A1 Process for the Preparation of Zileuton STRIDES SHASUN LIMITED (IN) 2016-12-29 US claimed
US-9670176-B2 Process for the preparation of zileuton STRIDES SHASUN LIMITED (IN) 2017-06-06 US disclosed
US-20160376251-A1 Process for the Preparation of Zileuton STRIDES SHASUN LIMITED (IN) 2016-12-29 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-20160376251-A1 Process for the Preparation of Zileuton CYP2B6, UGT1A6, CYP2A6 HDAC6 589/4885HDAC8 2151/4885HDAC2 687/4885

“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.