Sugi Predict

Sugi Predict / Compounds / Benzene

Benzene

Benzene

SCHEMBL1002002

CN(C)C(=O)CC(C)(C)C.c1ccccc1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 1/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP2C19 P33261 3/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ HMGCR P04035 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ NPC1 O15118 2/20 0.33
▸ OPRM1 P35372 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL680882 0.92 ALDH1A1 (0.40) CCR5GAAMAPTALDH1A1CYP2C19
SCHEMBL5174067 0.90 ALDH1A1 (0.39) ALDH1A1CYP2C19HIF1AHMGCRCHRM1
SCHEMBL19169705 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL23518445 0.76 HMGCR (0.33) CCR5CYP2C19HIF1AHMGCRCHRM1
SCHEMBL10727522 0.75 TSHR (0.39) ALDH1A1CYP2C19HIF1AHMGCRCHRM1
SCHEMBL10224337 0.74 CYP3A4 (0.55) SMN1; SMN2RAB9ACYP2C19MEN1KMT2A
SCHEMBL14159859 0.74 ALDH1A1 (0.39) ALDH1A1CYP2C19HIF1AHMGCRCHRM1
SCHEMBL1515322 0.74 HMGCR (0.32) CYP2C19HIF1AHMGCRCHRM1TBXA2R
SCHEMBL10937923 0.73 KDM4E (0.48) ALDH1A1CYP2C19HIF1AHMGCRCHRM1
SCHEMBL15247980 0.72 KDM4E (0.31) HMGCRCHRM1TBXA2RADRA1A

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
US-8993593-B2 N-(4-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-2,6-dimethylphenyl)-3,3-dimethylbutanamide as potassium channel modulators VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2015-03-31 — — US disclosed
EP-2531024-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANIILIDES AS POTASSIUM CHANNEL MODULATORS Valeant Pharmaceuticals International (US) 2012-12-12 — — EP disclosed
WO-2011094186-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANIILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2011-08-04 — — WO disclosed
US-20110003850-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (US) 2011-01-06 — — 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-20110003850-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS KCNQ2, KCNQ1, KCNQ5 CCR5 4495/4885SMN1; SMN2 1710/4885RAB9A 891/4885

“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.