Benzene

Benzene

SCHEMBL4292987

O=S(=O)(Cl)c1ccccc1.c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 1.00
ALDH1A1 P00352 1/20 1.00
HSD17B10 Q99714 1/20 1.00
HTR6 P50406 1/20 0.58
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA3 P07451 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
PLA2G7 Q13093 1/20 0.52
CA9 Q16790 1/20 0.52
CA13 Q8N1Q1 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52

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
SCHEMBL10704793 1.00 TDP1 (1.00) TDP1ALDH1A1HSD17B10HTR6CA1
SCHEMBL18636497 1.00 TDP1 (1.00) TDP1ALDH1A1HSD17B10HTR6CA1
SCHEMBL30036615 1.00 TDP1 (1.00) TDP1ALDH1A1HSD17B10HTR6CA1
SCHEMBL17223 1.00 TDP1 (1.00) TDP1ALDH1A1HSD17B10HTR6CA1
Methane SCHEMBL29110024 0.97 TDP1 (0.94) TDP1ALDH1A1HSD17B10HTR6CA1
SCHEMBL3810753 0.97 TDP1 (0.94) TDP1ALDH1A1HSD17B10HTR6CA1
SCHEMBL28230782 0.97 TDP1 (0.94) TDP1ALDH1A1HSD17B10HTR6CA1
Bromide SCHEMBL28859264 0.97 TDP1 (0.94) TDP1ALDH1A1HSD17B10HTR6CA1
Ammonia Solution, Strong SCHEMBL27663541 0.97 TDP1 (0.94) TDP1ALDH1A1HSD17B10HTR6CA1
SCHEMBL28295156 0.97 TDP1 (0.94) TDP1ALDH1A1HSD17B10HTR6CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005560-A1 PRODUCTION METHOD OF DIAMINOPYRIMIDINE COMPOUNDS AJINOMOTO CO. INC (JP) 2009-01-01 US disclosed
EP-2009003-A1 Production method of diaminopyrimidine compounds Ajinomoto Co., Inc. (JP) 2008-12-31 EP disclosed
US-20080312404-A1 Novel diepoxides and epoxy resins PEWS R GARTH 2008-12-18 US disclosed
US-7462728-B2 Diepoxide derivatives of N,N*-disubstituted disulfonamides PEWS R GARTH 2008-12-09 US disclosed
US-20060128978-A1 Diepoxide derivatives of N, N*-disubstituted disulfonamides PEWS R G 2006-06-15 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-20090005560-A1 PRODUCTION METHOD OF DIAMINOPYRIMIDINE COMPOUNDS DPYD, DHPS, UMPS TDP1 1267/4885ALDH1A1 165/4885HSD17B10 1422/4885

“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.