Benzene

Benzene

SCHEMBL3026328

Cc1[nH]cnc1C=S=O.c1ccccc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.38
ALOX5 P09917 1/20 0.35
RAF1 P04049 1/20 0.34
CYP1A2 P05177 1/20 0.34
CDK1 P06493 1/20 0.34
CYP2C9 P11712 1/20 0.34
CCNB1 P14635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TLK2 Q86UE8 1/20 0.33
PARP1 P09874 1/20 0.33
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
NEK2 P51955 1/20 0.30
FDPS P14324 1/20 0.30
TUBB4A P04350 1/20 0.30

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
SCHEMBL632905 0.73
SCHEMBL8528269 0.69
SCHEMBL19703442 0.69
Hydrochloric Acid SCHEMBL11208631 0.67
Hydrochloric Acid SCHEMBL1310647 0.67 KDM4E (0.43) GABRR1ALOX5TLK2TDP1L3MBTL1
Hydrochloric Acid SCHEMBL1310649 0.67 KDM4E (0.43) GABRR1ALOX5TLK2TDP1L3MBTL1
SCHEMBL19296176 0.65 ALOX5 (0.33) GABRR1ALOX5HRH2HRH1HRH4
SCHEMBL11209965 0.65 MAOB (0.45) GABRR1RAF1CYP1A2CDK1CYP2C9
SCHEMBL11210047 0.63 PARP1 (0.41) GABRR1ALOX5RAF1PARP1HRH2
SCHEMBL5972259 0.63 CYP1A2 (0.71) ALOX5RAF1CYP1A2CDK1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 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-20100204233-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 GABRR1 134/4885ALOX5 3278/4885RAF1 1533/4885

“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.