Sugi Predict

Sugi Predict / Compounds / Benzene

Benzene

Benzene

SCHEMBL5880091

CC(=O)NN.c1ccccc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAPRT Q6XQN6 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TSHR P16473 2/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ CA2 P00918 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ FFAR3 O14843 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ CTSD P07339 2/20 0.39

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 SCHEMBL27494198 0.97 NAPRT (0.42) NAPRTHSD17B10TSHRNFKB1KDM4E
Acetic Acid SCHEMBL9763152 0.89 — —
Acetic Acid SCHEMBL23629522 0.89 FFAR3 (0.54) NAPRTHSD17B10TSHRNFKB1KDM4E
SCHEMBL7745 0.89 — —
SCHEMBL28117108 0.89 KDM4E (0.50) TSHRNFKB1KDM4ECA2PTGS1
SCHEMBL29707140 0.89 — —
SCHEMBL208969 0.89 — —
Acetone SCHEMBL8988641 0.85 — —
Hydrochloric Acid SCHEMBL4321541 0.85 — —
Hydrochloric Acid SCHEMBL4324468 0.85 — —

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
CN-108218848-A A kind of trifluoromethyl pyridine oxadiazoles（Ether）Analog derivative and its application 贵州大学 2018-06-29 — — CN disclosed
CN-106389419-A Application of arylhydrazide compound in treatment of acute myocardial ischemic coronary heart disease 段占娥 2017-02-15 — — CN disclosed
US-7026339-B2 Inhibitors of HCV NS5B polymerase PFIZER INC. 2006-04-11 — — US disclosed
US-20050154056-A1 [(hetero)aryl or cycloalkylacetylhydrazono]methylbenzene derivatives, o-substituted with (hetero)aryl- or cycloalkyl- sulfonyloxy-, sulfonylamino-, S(O)0-2methyl-, or methoxy- groups, e.g., 3-chloro-2-((E)-{[(3-methoxyphenyl)acetyl]hydrazono}methyl)phenyl 4-(trifluoromethyl)benzenesulfonate PHARMACIA & UPJOHN COMPANY 2005-07-14 — — 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-20050154056-A1 [(hetero)aryl or cycloalkylacetylhydrazono]methylbenzene derivatives, o-substituted with (hetero)aryl- or cycloalkyl- sulfonyloxy-, sulfonylamino-, S(O)0-2methyl-, or methoxy- groups, e.g., 3-chloro-2-((E)-{[(3-methoxyphenyl)acetyl]hydrazono}methyl)phenyl 4-(trifluoromethyl)benzenesulfonate ACACB, HCCS, HAVCR2 NAPRT 2201/4885HSD17B10 432/4885TSHR 4432/4885

“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.