Benzene

Benzene

SCHEMBL4054886

CC(NS(C)(=O)=O)C(=O)Nc1cc(C(C)(C)C)n[nH]1.c1ccccc1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
MMP2 P08253 7/20 0.35
MMP9 P14780 7/20 0.35
MMP8 P22894 7/20 0.35
MMP1 P03956 6/20 0.35
HPGD P15428 3/20 0.33
MMP12 P39900 4/20 0.33
MMP13 P45452 4/20 0.33
MMP14 P50281 4/20 0.33
KMT2A Q03164 2/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32

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
Benzene SCHEMBL4061497 0.79 ADORA1 (0.48) HDAC8HDAC6L3MBTL1GAAMMP2
SCHEMBL16359170 0.71 HPGD (0.36) ALDH1A1TSHRLMNAGAAMMP8
SCHEMBL20938923 0.70 MAPK14 (0.42) ALDH1A1TSHRLMNAGAAHPGD
SCHEMBL28454526 0.70 CDK8 (0.44) ALDH1A1TSHRHSD17B10LMNAGAA
SCHEMBL4056157 0.70 PSEN1 (0.48)
SCHEMBL18233029 0.69 MEN1 (0.52) ALDH1A1TSHRPOLBLMNAKMT2A
SCHEMBL13487567 0.69 ALDH1A1 (0.50) ALDH1A1TSHRLMNAGAAHPGD
SCHEMBL16591601 0.68 SMN1; SMN2 (0.46) TSHRHSD17B10L3MBTL1LMNAGAA
SCHEMBL18330359 0.68 LMNA (0.45) TSHRPOLBL3MBTL1LMNAHPGD
SCHEMBL18233020 0.68 JAK2 (0.41) ALDH1A1TSHRHSD17B10LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome PFIZER INC. 2007-11-22 US claimed
EP-1551809-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP claimed
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. 2004-07-22 US claimed
WO-2004033434-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 WO claimed
US-7521464-B2 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. (US) 2009-04-21 US disclosed
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome PFIZER INC. 2007-11-22 US disclosed
US-7238721-B2 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-03 US disclosed
EP-1551809-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. 2004-07-22 US disclosed
WO-2004033434-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 WO 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 (2 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-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders APP, PARK7, BACE1 HDAC8 1286/4885HDAC6 239/4885ALDH1A1 1449/4885
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome APP, BACE1, PSEN1 HDAC8 3554/4885HDAC6 1435/4885ALDH1A1 2831/4885

“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.