Sugi Predict

Sugi Predict / Compounds / Benzene

Benzene

Benzene

SCHEMBL6030702

C=CCc1nc2ccccc2o1.C=CCc1nc2ccccc2o1.c1ccccc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.61
▸ NPC1 O15118 3/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ TP53 P04637 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ LOXL2 Q9Y4K0 1/20 0.54
▸ HTT P42858 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ GAA P10253 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ PSMB8 P28062 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40

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
SCHEMBL7315076 0.98 NPC1 (0.63) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL28882874 0.96 NPC1 (0.61) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL29953526 0.80 MAPT (0.63) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL1730801 0.80 MAPT (0.63) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4464271 0.78 ELANE (0.64) MEN1KMT2A
SCHEMBL292137 0.77 NPC1 (0.70) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL9848762 0.77 NPC1 (0.70) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL155002 0.77 MAPT (1.00) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL1420033 0.77 TP53 (0.81) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL28528301 0.76 MAPT (0.58) MAPTNPC1RAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109376-B2 Benzene and naphthylene derivatives and their use as UV screening agents DSM IP ASSETS B.V. (NL) 2006-09-19 — — US disclosed
US-20060153784-A1 Novel 2-benzoxazolyl benzene derivatives and their use as UV screening agents HUBER ULRICH 2006-07-13 — — US disclosed
US-7019020-B2 2-benzoxazolyl benzene derivatives and their use as UV screening agents DSM IP ASSETS B.V. (NL) 2006-03-28 — — US disclosed
US-20040071640-A1 Novel-2-benzoxazolyl benzene derivatives and their use as uv screening agents DSM IP ASSETS B.V. (NL) 2004-04-15 — — US disclosed
EP-1358167-A1 NOVEL 2-BENZOXAZOLYL BENZENE DERIVATIVES AND THEIR USE AS UV SCREENING AGENTS Roche Vitamins AG (CH) 2003-11-05 — — EP disclosed
WO-2002062771-A1 NOVEL 2-BENZOXAZOLYL BENZENE DERIVATIVES AND THEIR USE AS UV SCREENING AGENTS ROCHE VITAMINS AG (CH) 2002-08-15 — — 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-20040071640-A1 Novel-2-benzoxazolyl benzene derivatives and their use as uv screening agents CBX8, XRCC5, CYP8B1 MAPT 4569/4885NPC1 2743/4885RAB9A 3805/4885
US-20060153784-A1 Novel 2-benzoxazolyl benzene derivatives and their use as UV screening agents POLR1C, CBR3, CBR1 MAPT 4676/4885NPC1 2800/4885RAB9A 3525/4885

“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.