Benzene

Benzene

SCHEMBL6915910

O=C(O)C=Cc1ccc([N+](=O)[O-])cc1.c1ccccc1

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.71
BCHE P06276 1/20 0.71
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
CYP1B1 Q16678 1/20 0.66
MAPT P10636 3/20 0.59
POLB P06746 2/20 0.59
HCAR2 Q8TDS4 2/20 0.59
HDAC3 O15379 1/20 0.59
TNKS O95271 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
TNKS2 Q9H2K2 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59

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
SCHEMBL42325 0.98 MEN1 (0.71) MAOBBCHEMEN1KMT2ACYP1B1
SCHEMBL277169 0.98 MEN1 (0.71) MAOBBCHEMEN1KMT2ACYP1B1
Hydrochloric Acid SCHEMBL4989762 0.96 MEN1 (0.69) MAOBBCHEMEN1KMT2ACYP1B1
SCHEMBL29077145 0.96 MEN1 (0.69) MAOBBCHEMEN1KMT2ACYP1B1
SCHEMBL27883557 0.96 MEN1 (0.69) MAOBBCHEMEN1KMT2ACYP1B1
SCHEMBL27867390 0.96 MEN1 (0.69) MAOBBCHEMEN1KMT2ACYP1B1
SCHEMBL11836067 0.93 MEN1 (0.65) MAOBBCHEMEN1KMT2ACYP1B1
SCHEMBL11836065 0.93 MEN1 (0.65) MAOBBCHEMEN1KMT2ACYP1B1
SCHEMBL17457069 0.90 MAOB (0.63) MAOBBCHEMEN1KMT2ACYP1B1
Alcohol SCHEMBL8131569 0.90 MEN1 (0.66) MAOBBCHEMEN1KMT2ACYP1B1

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-6689899-B2 HYDROGENATION OF THE CORRESPONDING DINITRO COMPOUNDS KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2004-02-10 US disclosed
US-20020019558-A1 Diamine and acid anhydride KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-02-14 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-20020019558-A1 Diamine and acid anhydride CA1, ASIC1, CA4 MAOB 1298/4885BCHE 2316/4885MEN1 1404/4885

“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.